4-Bromo-3,5-dimethoxybenzoic acid
Properties
- Molecular formula
- C9H9BrO4
- Molar mass
- 261.07 g/mol
- Exact mass
- 259.9684 Da
- logP
- 2.16Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 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
56518-42-4SMILES
COc1cc(C(=O)O)cc(OC)c1BrInChIKey
JNFZULSIYYVRJO-UHFFFAOYSA-NInChI
InChI=1S/C9H9BrO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,1-2H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 4-bromo-3,5-dimethoxy-
- 3,5-Dimethoxy-4-bromobenzoic acid
Work with 4-Bromo-3,5-dimethoxybenzoic acid
Similar compounds
Eudesmic acid118-41-269 % similar
Syringic acid530-57-467 % similar
3,5-Dimethoxy-4-methylbenzoic acid61040-81-167 % similar
4-Bromo-3-methoxybenzoic acid56256-14-564 % similar
Veratric acid93-07-262 % similar
3,5-Dibromo-4-methoxybenzoic acid4073-35-260 % similar
3-Hydroxy-4,5-dimethoxybenzoic acid1916-08-159 % similar
3-O-Methylgallic acid3934-84-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.