1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride

C113H132Br5ClF4N9O28- — CID 160761989

About 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride

1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride (PubChem CID 160761989) has the molecular formula C113H132Br5ClF4N9O28- and a molecular weight of 2575.30 g/mol. Its IUPAC name is 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride.

Molecular Properties

• Compound Name: 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride
• PubChem CID: 160761989
• Molecular Formula: C113H132Br5ClF4N9O28-
• Molecular Weight: 2575.30 g/mol
• Exact Mass: 2568.47
• IUPAC Name: 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride
• SMILES: BrCc1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCc1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@H](OC(=O)N2Cc3cccc(F)c3C2)CC1C(=O)O.CC(C)(C)OC(=O)N1C[C@H](OC(=O)N2Cc3cccc(F)c3C2)C[C@H]1C(=O)OCc1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@H](OC(=O)N2Cc3cccc(F)c3C2)C[C@H]1C(=O)OCc1ccc(Br)cc1.Fc1cccc2c1CNC2.[Cl-]
• InChI: InChI=1S/2C26H28BrFN2O6.C19H23FN2O6.C17H22BrNO5.C10H17NO5.C8H8FN.C7H6Br2.ClH/c2*1-26(2,3)36-25(33)30-13-19(11-22(30)23(31)34-15-16-7-9-18(27)10-8-16)35-24(32)29-12-17-5-4-6-21(28)20(17)14-29;1-19(2,3)28-18(26)22-9-12(7-15(22)16(23)24)27-17(25)21-8-11-5-4-6-14(20)13(11)10-21;1-17(2,3)24-16(22)19-9-13(20)8-14(19)15(21)23-10-11-4-6-12(18)7-5-11;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;9-8-3-1-2-6-4-10-5-7(6)8;8-5-6-1-3-7(9)4-2-6;/h2*4-10,19,22H,11-15H2,1-3H3;4-6,12,15H,7-10H2,1-3H3,(H,23,24);4-7,13-14,20H,8-10H2,1-3H3;6-7,12H,4-5H2,1-3H3,(H,13,14);1-3,10H,4-5H2;1-4H,5H2;1H/p-1/t2*19-,22+;12-,15?;13-,14+;6-,7+;;;/m11111.../s1
• InChIKey: PQNONPNQJNASAY-AKVAIGJVSA-M
• XLogP: 18.14
• TPSA: 442.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.30
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride?

The IUPAC name of 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride (CID 160761989) is 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride.

What is the SMILES notation for 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride?

The canonical SMILES for 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride is BrCc1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCc1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@H](OC(=O)N2Cc3cccc(F)c3C2)CC1C(=O)O.CC(C)(C)OC(=O)N1C[C@H](OC(=O)N2Cc3cccc(F)c3C2)C[C@H]1C(=O)OCc1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@H](OC(=O)N2Cc3cccc(F)c3C2)C[C@H]1C(=O)OCc1ccc(Br)cc1.Fc1cccc2c1CNC2.[Cl-].

What is the InChIKey of 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride?

The InChIKey is PQNONPNQJNASAY-AKVAIGJVSA-M. The full InChI is InChI=1S/2C26H28BrFN2O6.C19H23FN2O6.C17H22BrNO5.C10H17NO5.C8H8FN.C7H6Br2.ClH/c2*1-26(2,3)36-25(33)30-13-19(11-22(30)23(31)34-15-16-7-9-18(27)10-8-16)35-24(32)29-12-17-5-4-6-21(28)20(17)14-29;1-19(2,3)28-18(26)22-9-12(7-15(22)16(23)24)27-17(25)21-8-11-5-4-6-14(20)13(11)10-21;1-17(2,3)24-16(22)19-9-13(20)8-14(19)15(21)23-10-11-4-6-12(18)7-5-11;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;9-8-3-1-2-6-4-10-5-7(6)8;8-5-6-1-3-7(9)4-2-6;/h2*4-10,19,22H,11-15H2,1-3H3;4-6,12,15H,7-10H2,1-3H3,(H,23,24);4-7,13-14,20H,8-10H2,1-3H3;6-7,12H,4-5H2,1-3H3,(H,13,14);1-3,10H,4-5H2;1-4H,5H2;1H/p-1/t2*19-,22+;12-,15?;13-,14+;6-,7+;;;/m11111.../s1.

What are the key properties of 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride?

1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride has a molecular weight of 2575.30 g/mol, XLogP of 18.14, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(bromomethyl)benzene;bis(2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate);2-O-[(4-bromophenyl)methyl] 1-O-tert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;4-fluoro-2,3-dihydro-1H-isoindole;(4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;chloride is sourced from PubChem (CID 160761989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).