chempirical

Methyl 3-bromo-4-hydroxybenzoate

C8H7BrO3CAS 29415-97-2231.04 g/mol

Open in Covalent MOL file
OOOHBr
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

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
29415-97-2
SMILES
COC(=O)C1=CC(=C(C=C1)O)Br
InChIKey
RKUNSPWAQIUGEZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3

Weigh it out

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

Work with Methyl 3-bromo-4-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 3,5-dibromo-4-hydroxybenzoate41727-47-369 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-668 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-267 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-067 % similar Methyl 3-bromo-4-methylbenzoate104901-43-165 % similar 3-Bromo-4-iodobenzoic acid methyl ester249647-24-365 % similar Methyl 4-amino-3-bromobenzoate106896-49-563 % 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

PubChem CAS Common Chemistry NIST WebBook