3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver

C80H83AgBr2Cl4N3O24 — CID 159530306

IUPAC3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCBr.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCON=O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCON=O.O=[N+]([O-])O.OCCCBr.[Ag]
InChIInChI=1S/C20H20BrClO4.2C20H20ClNO6.C17H15ClO4.C3H7BrO.Ag.HNO3/c1-20(2,19(24)25-13-3-12-21)26-17-10-6-15(7-11-17)18(23)14-4-8-16(22)9-5-14;2*1-20(2,19(24)26-12-3-13-27-22-25)28-17-10-6-15(7-11-17)18(23)14-4-8-16(21)9-5-14;1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;4-2-1-3-5;;2-1(3)4/h4-11H,3,12-13H2,1-2H3;2*4-11H,3,12-13H2,1-2H3;3-10H,1-2H3,(H,20,21);5H,1-3H2;;(H,2,3,4)
InChIKeyIITSTDDNUGMTND-UHFFFAOYSA-N
MW1880.03 g/mol
LogP18.00
Rot. Bonds35

About 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver

3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver (PubChem CID 159530306) has the molecular formula C80H83AgBr2Cl4N3O24 and a molecular weight of 1880.03 g/mol. Its IUPAC name is 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver.

Molecular Properties

Compound Name3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver
PubChem CID159530306
Molecular FormulaC80H83AgBr2Cl4N3O24
Molecular Weight1880.03 g/mol
Exact Mass1874.15
IUPAC Name3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCBr.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCON=O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCON=O.O=[N+]([O-])O.OCCCBr.[Ag]
InChIInChI=1S/C20H20BrClO4.2C20H20ClNO6.C17H15ClO4.C3H7BrO.Ag.HNO3/c1-20(2,19(24)25-13-3-12-21)26-17-10-6-15(7-11-17)18(23)14-4-8-16(22)9-5-14;2*1-20(2,19(24)26-12-3-13-27-22-25)28-17-10-6-15(7-11-17)18(23)14-4-8-16(21)9-5-14;1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;4-2-1-3-5;;2-1(3)4/h4-11H,3,12-13H2,1-2H3;2*4-11H,3,12-13H2,1-2H3;3-10H,1-2H3,(H,20,21);5H,1-3H2;;(H,2,3,4)
InChIKeyIITSTDDNUGMTND-UHFFFAOYSA-N
XLogP18.00
TPSA382.32 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.03
LogP ≤ 518.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver with MolForge

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Related Compounds

9-bromononyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 141493265
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride
CID 161393666
propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 71360491
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium
CID 159958985
but-3-enyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 163297688
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 160866166
N-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxymethanimine oxide
CID 58329127
2-[4-[(E)-C-(4-chlorophenyl)-N-undecoxycarbonimidoyl]phenoxy]-2-methylpropanoic acid
CID 46878787
CID 131878857
CID 131878857
(2-methylpropan-2-yl)oxycarbonyloxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 56666790
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;ethyl (2R)-2-amino-3-methylbutanoate
CID 71696337

Frequently Asked Questions

What is the IUPAC name of 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver?
The IUPAC name of 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver (CID 159530306) is 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver.
What is the SMILES notation for 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver?
The canonical SMILES for 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver is CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCBr.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCON=O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCCON=O.O=[N+]([O-])O.OCCCBr.[Ag].
What is the InChIKey of 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver?
The InChIKey is IITSTDDNUGMTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClO4.2C20H20ClNO6.C17H15ClO4.C3H7BrO.Ag.HNO3/c1-20(2,19(24)25-13-3-12-21)26-17-10-6-15(7-11-17)18(23)14-4-8-16(22)9-5-14;2*1-20(2,19(24)26-12-3-13-27-22-25)28-17-10-6-15(7-11-17)18(23)14-4-8-16(21)9-5-14;1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;4-2-1-3-5;;2-1(3)4/h4-11H,3,12-13H2,1-2H3;2*4-11H,3,12-13H2,1-2H3;3-10H,1-2H3,(H,20,21);5H,1-3H2;;(H,2,3,4).
What are the key properties of 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver?
3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver has a molecular weight of 1880.03 g/mol, XLogP of 18.00, 35 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver is sourced from PubChem (CID 159530306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).