3,5-Dibromo-4-methoxybenzoic acid

C8H6Br2O3CAS 4073-35-2309.94 g/mol

Open in Covalent MOL file
OBrOOHBr
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H6Br2O3
Molar mass
309.94 g/mol
Exact mass
307.8684 Da
logP
2.92Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
4073-35-2
SMILES
COC1=C(C=C(C=C1Br)C(=O)O)Br
InChIKey
NAHPGFGVWWKSFU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Br2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)

Weigh it out

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

Work with 3,5-Dibromo-4-methoxybenzoic 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

3-Bromo-4-methoxybenzoic acid99-58-164 % similar Eudesmic acid118-41-264 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-063 % similar 4-Methoxy-3,5-dimethylbenzoic acid21553-46-862 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-461 % similar 3,5-Difluoro-4-methoxybenzoic acid319-60-860 % similar 4-Bromo-3,5-dimethoxybenzoic acid56518-42-460 % similar 4-Bromo-3-methoxybenzoic acid56256-14-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dibromophenoxyacetic acid10129-78-9 3,5-Dibromo-2-methoxybenzoic acid13130-23-9 Methyl 3,5-dibromosalicylate21702-79-4 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde2973-75-3 Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook