2-Amino-5-bromo-3-methylbenzoic acid

C₈H₈BrNO₂CAS 206548-13-2230.06 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₈BrNO₂
Molar mass: 230.06 g/mol
Exact mass: 228.9738 Da
logP: 2.04Crippen 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

206548-13-2

SMILES

CC1=CC(=CC(=C1N)C(=O)O)Br

InChIKey

RWLPKYJTGUCBQH-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)

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Work with 2-Amino-5-bromo-3-methylbenzoic 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

2-Amino-3,5-dimethylbenzoic acid14438-32-567 % similar 2-Amino-3,5-dibromobenzoic acid609-85-867 % similar 2-Amino-5-chloro-3-methylbenzoic acid20776-67-463 % similar 2-Amino-5-bromo-3-fluorobenzoic acid874784-14-263 % similar 4-Bromo-2-methylbenzoic acid68837-59-259 % similar 5-Bromo-2-methylbenzoic acid79669-49-159 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-856 % similar 2-Amino-3-methylbenzoic acid4389-45-155 % similar

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

Same formula

Methyl 4-amino-3-bromobenzoate106896-49-5 2-Amino-3-bromo-5-methylbenzoic acid13091-43-5 Methyl 6-(bromomethyl)nicotinate131803-48-0 Methyl 2-amino-4-bromobenzoate135484-83-2 Ethyl 3-bromopyridine-4-carboxylate13959-01-8 Ethyl 5-bromopyridine-3-carboxylate20986-40-7 Ethyl 6-bromopicolinate21190-88-5 Methyl 5-bromo-3-methylpicolinate213771-32-5

Elsewhere

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