4-Amino-3,5-dibromobenzoic acid

C₇H₅Br₂NO₂CAS 4123-72-2294.93 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₅Br₂NO₂
Molar mass: 294.93 g/mol
Exact mass: 292.8687 Da
logP: 2.49Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4123-72-2

SMILES

C1=C(C=C(C(=C1Br)N)Br)C(=O)O

InChIKey

VWYQFZKTKAMCLU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)

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Work with 4-Amino-3,5-dibromobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dibromo-4-hydroxybenzoic acid3337-62-063 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-461 % similar 4-Amino-3-bromobenzoic acid6311-37-161 % similar 3,4-Dibromobenzoic acid619-03-458 % similar 4-Amino-3,5-diiodobenzoic acid2122-61-456 % similar 4-Amino-3,5-dichlorobenzoic acid56961-25-256 % similar 3-Amino-4-bromobenzoic acid2840-29-156 % similar 3,5-Dibromo-4-methoxybenzoic acid4073-35-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-3,5-dibromobenzoic acid609-85-8 4-Bromo-2-nitrobenzyl bromide82420-34-6

Elsewhere

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