2-amino-4-bromo-5-chlorobenzoic acid;oxocopper

C7H5BrClCuNO3 — CID 159753052

IUPAC2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
SMILESNc1cc(Br)c(Cl)cc1C(=O)O.O=[Cu]
InChIInChI=1S/C7H5BrClNO2.Cu.O/c8-4-2-6(10)3(7(11)12)1-5(4)9;;/h1-2H,10H2,(H,11,12);;
InChIKeyACMGZHBKSLFTRR-UHFFFAOYSA-N
MW330.02 g/mol
LogP2.26
Rot. Bonds1

About 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper

2-amino-4-bromo-5-chlorobenzoic acid;oxocopper (PubChem CID 159753052) has the molecular formula C7H5BrClCuNO3 and a molecular weight of 330.02 g/mol. Its IUPAC name is 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper.

Molecular Properties

Compound Name2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
PubChem CID159753052
Molecular FormulaC7H5BrClCuNO3
Molecular Weight330.02 g/mol
Exact Mass327.84
IUPAC Name2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
SMILESNc1cc(Br)c(Cl)cc1C(=O)O.O=[Cu]
InChIInChI=1S/C7H5BrClNO2.Cu.O/c8-4-2-6(10)3(7(11)12)1-5(4)9;;/h1-2H,10H2,(H,11,12);;
InChIKeyACMGZHBKSLFTRR-UHFFFAOYSA-N
XLogP2.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-bromo-5-chlorophenyl)-2-bromoethanone
CID 171011811
(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol
CID 139294915
2,5-dibromo-4-chlorobenzoic acid
CID 118497106
5-bromo-2-(4-bromo-2-carboxy-5-chlorophenyl)-4-chlorobenzoic acid
CID 142721146
4-bromo-5-chloro-2-sulfanylbenzoic acid;hydrochloride
CID 159562776
lithium;alumane;2-amino-5-bromo-4-chlorobenzoic acid;(2-amino-5-bromo-4-chlorophenyl)methanol;hydride
CID 158252681
2-amino-5-(4-bromo-2,5-dichlorophenoxy)-4-fluorobenzoic acid
CID 107659952
2-amino-5-chloro-4-sulfamoylbenzoic acid
CID 163729654
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
2-bromo-5-chloro-4-hydroxybenzoic acid
CID 131397859
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
CID 146196960

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper?
The IUPAC name of 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper (CID 159753052) is 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper.
What is the SMILES notation for 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper?
The canonical SMILES for 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper is Nc1cc(Br)c(Cl)cc1C(=O)O.O=[Cu].
What is the InChIKey of 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper?
The InChIKey is ACMGZHBKSLFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2.Cu.O/c8-4-2-6(10)3(7(11)12)1-5(4)9;;/h1-2H,10H2,(H,11,12);;.
What are the key properties of 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper?
2-amino-4-bromo-5-chlorobenzoic acid;oxocopper has a molecular weight of 330.02 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-chlorobenzoic acid;oxocopper is sourced from PubChem (CID 159753052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).