2-Amino-6-bromobenzoic acid

C₇H₆BrNO₂CAS 20776-48-1216.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₆BrNO₂
Molar mass: 216.03 g/mol
Exact mass: 214.9582 Da
logP: 1.73Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation53.3% of notifiers
H319 Causes serious eye irritation53.3% of notifiers
H335 May cause respiratory irritation53.3% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20776-48-1

SMILES

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

InChIKey

BNQPROAXWQCNKO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Amino-6-bromobenzoic 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

2,6-Dibromobenzoic acid601-84-371 % similar 3-Aminophthalic acid5434-20-866 % similar 2-Amino-6-chlorobenzoic acid2148-56-364 % similar 2-Amino-6-fluorobenzoic acid434-76-462 % similar 6-Methylanthranilic acid4389-50-862 % similar 2-Bromo-6-chlorobenzoic acid93224-85-261 % similar 3-Aminophthalic acid hydrochloride6946-22-160 % similar 2-Bromo-6-fluorobenzoic acid2252-37-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 Methyl 6-bromopyridine-3-carboxylate26218-78-0

Elsewhere

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