1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane

C138H119AlBCl5F10N7O27P — CID 160998498

IUPAC1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane
SMILESCC(=O)c1ccc(C(F)(F)F)cc1Oc1ccccc1N.CC(=O)c1ccc(C(F)(F)F)cc1Oc1ccccc1[N+](=O)[O-].CCOC(=O)c1ccc(B(O)O)cc1.CCOC(=O)c1ccc(C2=Nc3ccccc3Oc3cc(C)ccc32)cc1.COC(=O)c1ccc(C)cc1O.C[Al](C)C.Cc1ccc2c(c1)Oc1ccccc1CC2Cl.Cc1ccc2c(c1)Oc1ccccc1N=C2Cl.Cc1ccc2c(c1)Oc1ccccc1N=C2c1ccc(C(=O)NO)cc1.O=C(O)c1ccc(C(F)(F)F)cc1O.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1ccccc1F
InChIInChI=1S/C23H19NO3.C21H16N2O3.C15H13ClO.C15H10F3NO4.C15H12F3NO2.C14H10ClNO.C9H11BO4.C9H10O3.C8H5F3O3.C6H4FNO2.3CH3.Al.Cl3OP/c1-3-26-23(25)17-11-9-16(10-12-17)22-18-13-8-15(2)14-21(18)27-20-7-5-4-6-19(20)24-22;1-13-6-11-16-19(12-13)26-18-5-3-2-4-17(18)22-20(16)14-7-9-15(10-8-14)21(24)23-25;1-10-6-7-12-13(16)9-11-4-2-3-5-14(11)17-15(12)8-10;1-9(20)11-7-6-10(15(16,17)18)8-14(11)23-13-5-3-2-4-12(13)19(21)22;1-9(20)11-7-6-10(15(16,17)18)8-14(11)21-13-5-3-2-4-12(13)19;1-9-6-7-10-13(8-9)17-12-5-3-2-4-11(12)16-14(10)15;1-2-14-9(11)7-3-5-8(6-4-7)10(12)13;1-6-3-4-7(8(10)5-6)9(11)12-2;9-8(10,11)4-1-2-5(7(13)14)6(12)3-4;7-5-3-1-2-4-6(5)8(9)10;;;;;1-5(2,3)4/h4-14H,3H2,1-2H3;2-12,25H,1H3,(H,23,24);2-8,13H,9H2,1H3;2-8H,1H3;2-8H,19H2,1H3;2-8H,1H3;3-6,12-13H,2H2,1H3;3-5,10H,1-2H3;1-3,12H,(H,13,14);1-4H;3*1H3;;
InChIKeyBSNCWZKFFKSLJW-UHFFFAOYSA-N
MW2743.50 g/mol
LogP36.82
Rot. Bonds18

About 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane

1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane (PubChem CID 160998498) has the molecular formula C138H119AlBCl5F10N7O27P and a molecular weight of 2743.50 g/mol. Its IUPAC name is 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane.

Molecular Properties

Compound Name1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane
PubChem CID160998498
Molecular FormulaC138H119AlBCl5F10N7O27P
Molecular Weight2743.50 g/mol
Exact Mass2739.61
IUPAC Name1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane
SMILESCC(=O)c1ccc(C(F)(F)F)cc1Oc1ccccc1N.CC(=O)c1ccc(C(F)(F)F)cc1Oc1ccccc1[N+](=O)[O-].CCOC(=O)c1ccc(B(O)O)cc1.CCOC(=O)c1ccc(C2=Nc3ccccc3Oc3cc(C)ccc32)cc1.COC(=O)c1ccc(C)cc1O.C[Al](C)C.Cc1ccc2c(c1)Oc1ccccc1CC2Cl.Cc1ccc2c(c1)Oc1ccccc1N=C2Cl.Cc1ccc2c(c1)Oc1ccccc1N=C2c1ccc(C(=O)NO)cc1.O=C(O)c1ccc(C(F)(F)F)cc1O.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1ccccc1F
InChIInChI=1S/C23H19NO3.C21H16N2O3.C15H13ClO.C15H10F3NO4.C15H12F3NO2.C14H10ClNO.C9H11BO4.C9H10O3.C8H5F3O3.C6H4FNO2.3CH3.Al.Cl3OP/c1-3-26-23(25)17-11-9-16(10-12-17)22-18-13-8-15(2)14-21(18)27-20-7-5-4-6-19(20)24-22;1-13-6-11-16-19(12-13)26-18-5-3-2-4-17(18)22-20(16)14-7-9-15(10-8-14)21(24)23-25;1-10-6-7-12-13(16)9-11-4-2-3-5-14(11)17-15(12)8-10;1-9(20)11-7-6-10(15(16,17)18)8-14(11)23-13-5-3-2-4-12(13)19(21)22;1-9(20)11-7-6-10(15(16,17)18)8-14(11)21-13-5-3-2-4-12(13)19;1-9-6-7-10-13(8-9)17-12-5-3-2-4-11(12)16-14(10)15;1-2-14-9(11)7-3-5-8(6-4-7)10(12)13;1-6-3-4-7(8(10)5-6)9(11)12-2;9-8(10,11)4-1-2-5(7(13)14)6(12)3-4;7-5-3-1-2-4-6(5)8(9)10;;;;;1-5(2,3)4/h4-14H,3H2,1-2H3;2-12,25H,1H3,(H,23,24);2-8,13H,9H2,1H3;2-8H,1H3;2-8H,19H2,1H3;2-8H,1H3;3-6,12-13H,2H2,1H3;3-5,10H,1-2H3;1-3,12H,(H,13,14);1-4H;3*1H3;;
InChIKeyBSNCWZKFFKSLJW-UHFFFAOYSA-N
XLogP36.82
TPSA502.42 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002743.50
LogP ≤ 536.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane with MolForge

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Related Compounds

5H-benzo[b][1,4]benzoxazepin-6-one;6-chloro-8-fluorobenzo[b][1,4]benzoxazepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(8-fluorobenzo[b][1,4]benzoxazepin-6-yl)benzoate;4-(8-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide;1-fluoro-2-nitrobenzene;methane;methyl 2-(2-aminophenoxy)-5-fluorobenzoate;methyl 5-fluoro-2-hydroxybenzoate;methyl 5-fluoro-2-(2-nitrophenoxy)benzoate;phosphoryl trichloride
CID 161076701
CID 158471083
CID 158471083
N-hydroxy-4-[9-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
CID 25189800
carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene
CID 160981248
8-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one;1-fluoro-2-nitrobenzene;4-[2-(8-fluoro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)ethoxy]-N-hydroxybenzamide;methyl 2-(2-aminophenoxy)-5-fluorobenzoate;methyl 4-(2-bromoethoxy)benzoate;methyl 5-fluoro-2-hydroxybenzoate;methyl 5-fluoro-2-(2-nitrophenoxy)benzoate;methyl 4-[2-(8-fluoro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)ethoxy]benzoate
CID 159169262
methyl 5-(4-ethoxycarbonylphenyl)-2-(2-nitrophenoxy)benzoate
CID 59783791
N-hydroxy-4-[2-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
CID 25189604
4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide
CID 25189741
6-chloro-9-(trifluoromethyl)benzo[b][1,4]benzoxazepine
CID 67007246
methyl 4-[ethyl(methyl)amino]-2-nitro-5-[2-(trifluoromethyl)phenoxy]benzoate
CID 70841164
4-[3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzoic acid
CID 67007559
(2-methoxy-2-oxo-1-phenylethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
CID 19087542

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane?
The IUPAC name of 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane (CID 160998498) is 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane.
What is the SMILES notation for 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane?
The canonical SMILES for 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane is CC(=O)c1ccc(C(F)(F)F)cc1Oc1ccccc1N.CC(=O)c1ccc(C(F)(F)F)cc1Oc1ccccc1[N+](=O)[O-].CCOC(=O)c1ccc(B(O)O)cc1.CCOC(=O)c1ccc(C2=Nc3ccccc3Oc3cc(C)ccc32)cc1.COC(=O)c1ccc(C)cc1O.C[Al](C)C.Cc1ccc2c(c1)Oc1ccccc1CC2Cl.Cc1ccc2c(c1)Oc1ccccc1N=C2Cl.Cc1ccc2c(c1)Oc1ccccc1N=C2c1ccc(C(=O)NO)cc1.O=C(O)c1ccc(C(F)(F)F)cc1O.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1ccccc1F.
What is the InChIKey of 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane?
The InChIKey is BSNCWZKFFKSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3.C21H16N2O3.C15H13ClO.C15H10F3NO4.C15H12F3NO2.C14H10ClNO.C9H11BO4.C9H10O3.C8H5F3O3.C6H4FNO2.3CH3.Al.Cl3OP/c1-3-26-23(25)17-11-9-16(10-12-17)22-18-13-8-15(2)14-21(18)27-20-7-5-4-6-19(20)24-22;1-13-6-11-16-19(12-13)26-18-5-3-2-4-17(18)22-20(16)14-7-9-15(10-8-14)21(24)23-25;1-10-6-7-12-13(16)9-11-4-2-3-5-14(11)17-15(12)8-10;1-9(20)11-7-6-10(15(16,17)18)8-14(11)23-13-5-3-2-4-12(13)19(21)22;1-9(20)11-7-6-10(15(16,17)18)8-14(11)21-13-5-3-2-4-12(13)19;1-9-6-7-10-13(8-9)17-12-5-3-2-4-11(12)16-14(10)15;1-2-14-9(11)7-3-5-8(6-4-7)10(12)13;1-6-3-4-7(8(10)5-6)9(11)12-2;9-8(10,11)4-1-2-5(7(13)14)6(12)3-4;7-5-3-1-2-4-6(5)8(9)10;;;;;1-5(2,3)4/h4-14H,3H2,1-2H3;2-12,25H,1H3,(H,23,24);2-8,13H,9H2,1H3;2-8H,1H3;2-8H,19H2,1H3;2-8H,1H3;3-6,12-13H,2H2,1H3;3-5,10H,1-2H3;1-3,12H,(H,13,14);1-4H;3*1H3;;.
What are the key properties of 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane?
1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane has a molecular weight of 2743.50 g/mol, XLogP of 36.82, 18 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane is sourced from PubChem (CID 160998498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).