chempirical

Methyl 3-bromo-2-hydroxybenzoate

C8H7BrO3CAS 28165-45-9231.04 g/mol

Open in Covalent MOL file
OOBrHO
Aryl halideEsterPhenol

Properties

Molecular formula
C8H7BrO3
Molar mass
231.04 g/mol
Exact mass
229.9579 Da
logP
1.94Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
28165-45-9
SMILES
COC(=O)C1=C(C(=CC=C1)Br)O
InChIKey
WZHOTUVSKJWGMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3

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Work with Methyl 3-bromo-2-hydroxybenzoate

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

Methyl 2,3-dihydroxybenzoate2411-83-871 % similar Methyl 2-bromobenzoate610-94-669 % similar Methyl o-cresotinate23287-26-569 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-767 % similar Methyl 3-bromo-2-fluorobenzoate206551-41-964 % similar Methyl 3,5-dibromosalicylate21702-79-462 % similar Methyl 3-bromo-2-(bromomethyl)benzoate337536-14-861 % similar Methyl 3-nitrosalicylate22621-41-659 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 2-(4-Bromophenoxy)acetic acid1878-91-7 O-Bromophenoxyacetic acid1879-56-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9

Elsewhere

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