4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate

C107H98Br8Cl7F2IN8O20Sn — CID 162095537

About 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate

4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate (PubChem CID 162095537) has the molecular formula C107H98Br8Cl7F2IN8O20Sn and a molecular weight of 2987.01 g/mol. Its IUPAC name is 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate.

Molecular Properties

• Compound Name: 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate
• PubChem CID: 162095537
• Molecular Formula: C107H98Br8Cl7F2IN8O20Sn
• Molecular Weight: 2987.01 g/mol
• Exact Mass: 2975.62
• IUPAC Name: 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate
• SMILES: CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Cl)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(Br)ccc(Cl)c2C1=O.CC(C)(C)OC(=O)N1Cc2c([Sn](C)(C)C)ccc(Cl)c2C1=O.COC(=O)c1c(Cl)ccc(Br)c1C.COC(=O)c1c(Cl)ccc(Br)c1CBr.COC(=O)c1cccc(Br)c1C.Cc1c(Br)ccc(Cl)c1C(=O)O.Cc1c(Br)cccc1C(=O)O.Fc1ccn2c(I)cnc2c1.O=C1NCc2c(Br)ccc(Cl)c21
• InChI: InChI=1S/C20H17ClFN3O3.C13H13BrClNO3.C13H13ClNO3.C9H7Br2ClO2.C9H8BrClO2.C9H9BrO2.C8H5BrClNO.C8H6BrClO2.C8H7BrO2.C7H4FIN2.3CH3.Sn/c1-20(2,3)28-19(27)25-10-13-12(4-5-14(21)17(13)18(25)26)15-9-23-16-8-11(22)6-7-24(15)16;1-13(2,3)19-12(18)16-6-7-8(14)4-5-9(15)10(7)11(16)17;1-13(2,3)18-12(17)15-7-8-5-4-6-9(14)10(8)11(15)16;1-14-9(13)8-5(4-10)6(11)2-3-7(8)12;1-5-6(10)3-4-7(11)8(5)9(12)13-2;1-6-7(9(11)12-2)4-3-5-8(6)10;9-5-1-2-6(10)7-4(5)3-11-8(7)12;1-4-5(9)2-3-6(10)7(4)8(11)12;1-5-6(8(10)11)3-2-4-7(5)9;8-5-1-2-11-6(9)4-10-7(11)3-5;;;;/h4-9H,10H2,1-3H3;4-5H,6H2,1-3H3;4,6H,7H2,1-3H3;2-3H,4H2,1H3;3-4H,1-2H3;3-5H,1-2H3;1-2H,3H2,(H,11,12);2-3H,1H3,(H,11,12);2-4H,1H3,(H,10,11);1-4H;3*1H3
• InChIKey: ZEEWIYFJANDKOF-UHFFFAOYSA-N
• XLogP: 31.97
• TPSA: 357.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2987.01
LogP ≤ 5	31.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate?

The IUPAC name of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate (CID 162095537) is 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate.

What is the SMILES notation for 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate?

The canonical SMILES for 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate is CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Cl)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(Br)ccc(Cl)c2C1=O.CC(C)(C)OC(=O)N1Cc2c([Sn](C)(C)C)ccc(Cl)c2C1=O.COC(=O)c1c(Cl)ccc(Br)c1C.COC(=O)c1c(Cl)ccc(Br)c1CBr.COC(=O)c1cccc(Br)c1C.Cc1c(Br)ccc(Cl)c1C(=O)O.Cc1c(Br)cccc1C(=O)O.Fc1ccn2c(I)cnc2c1.O=C1NCc2c(Br)ccc(Cl)c21.

What is the InChIKey of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate?

The InChIKey is ZEEWIYFJANDKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3.C13H13BrClNO3.C13H13ClNO3.C9H7Br2ClO2.C9H8BrClO2.C9H9BrO2.C8H5BrClNO.C8H6BrClO2.C8H7BrO2.C7H4FIN2.3CH3.Sn/c1-20(2,3)28-19(27)25-10-13-12(4-5-14(21)17(13)18(25)26)15-9-23-16-8-11(22)6-7-24(15)16;1-13(2,3)19-12(18)16-6-7-8(14)4-5-9(15)10(7)11(16)17;1-13(2,3)18-12(17)15-7-8-5-4-6-9(14)10(8)11(15)16;1-14-9(13)8-5(4-10)6(11)2-3-7(8)12;1-5-6(10)3-4-7(11)8(5)9(12)13-2;1-6-7(9(11)12-2)4-3-5-8(6)10;9-5-1-2-6(10)7-4(5)3-11-8(7)12;1-4-5(9)2-3-6(10)7(4)8(11)12;1-5-6(8(10)11)3-2-4-7(5)9;8-5-1-2-11-6(9)4-10-7(11)3-5;;;;/h4-9H,10H2,1-3H3;4-5H,6H2,1-3H3;4,6H,7H2,1-3H3;2-3H,4H2,1H3;3-4H,1-2H3;3-5H,1-2H3;1-2H,3H2,(H,11,12);2-3H,1H3,(H,11,12);2-4H,1H3,(H,10,11);1-4H;3*1H3;.

What are the key properties of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate?

4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate has a molecular weight of 2987.01 g/mol, XLogP of 31.97, 8 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-7-chloro-2,3-dihydroisoindol-1-one;3-bromo-6-chloro-2-methylbenzoic acid;3-bromo-2-methylbenzoic acid;tert-butyl 7-bromo-4-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-chloro-3-oxo-7-trimethylstannyl-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methyl 3-bromo-2-(bromomethyl)-6-chlorobenzoate;methyl 3-bromo-6-chloro-2-methylbenzoate;methyl 3-bromo-2-methylbenzoate is sourced from PubChem (CID 162095537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).