Methyl 4-bromo-3-hydroxybenzoate

C₈H₇BrO₃CAS 106291-80-9231.04 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol

Properties

Molecular formula: C₈H₇BrO₃
Molar mass: 231.04 g/mol
Exact mass: 229.9579 Da
logP: 1.94Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

106291-80-9

SMILES

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

InChIKey

VYOFPLOREOHCDP-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3

Weigh it out

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

Work with Methyl 4-bromo-3-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 3,4-dihydroxybenzoate2150-43-873 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-663 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-563 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-262 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-062 % similar Methyl 3-bromo-4-methylbenzoate104901-43-161 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-359 % similar Methyl 4-amino-3-bromobenzoate106896-49-559 % similar

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

Same formula

2-(4-Bromophenoxy)acetic acid1878-91-7 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 2-Bromo-5-hydroxy-4-methoxybenzaldehyde2973-59-3 5-Bromovanillin2973-76-4 3-Bromo-4-hydroxyphenylacetic acid38692-80-7 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-2 4-Bromomandelic acid6940-50-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook