chempirical

Methyl 5-bromo-3-hydroxybenzoate

C8H7BrO3CAS 192810-12-1231.04 g/mol

Open in Covalent MOL file
OOBrOH
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
192810-12-1
SMILES
COC(=O)C1=CC(=CC(=C1)Br)O
InChIKey
KRTBWIIGEJIUSA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3

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Names and synonyms

1 names
  • Methyl 3-bromo-5-hydroxybenzoate

Work with Methyl 5-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

Dimethyl 5-hydroxyisophthalate13036-02-777 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-977 % similar Methyl 3,5-dibromobenzoate51329-15-873 % similar Dimethyl 5-bromoisophthalate51760-21-573 % similar Methyl 3-bromo-5-iodobenzoate188813-07-261 % similar Methyl 4-bromobenzoate619-42-161 % similar Methyl 3-hydroxybenzoate19438-10-958 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-358 % 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 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 Methyl 3-bromo-2-hydroxybenzoate28165-45-9

Elsewhere

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