5-Bromo-2-methyl-3-nitrobenzoic acid
Properties
- Molecular formula
- C8H6BrNO4
- Molar mass
- 260.04 g/mol
- Exact mass
- 258.9480 Da
- logP
- 2.36Crippen estimate
- Polar surface area
- 80.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
107650-20-4SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)OInChIKey
DXUUJILVHXQDCV-UHFFFAOYSA-NInChI
InChI=1S/C8H6BrNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Bromo-2-methyl-3-nitrobenzoic acid
Similar compounds
2-Methyl-3,5-dinitrobenzoic acid28169-46-271 % similar
5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-569 % similar
4-Methyl-3,5-dinitrobenzoic acid16533-71-465 % similar
5-Bromo-2-methyl-1,3-dinitrobenzene95192-64-665 % similar
Methyl 5-bromo-2-methyl-3-nitrobenzoate220514-28-364 % similar
5-Bromo-2-nitro-benzoic acid6950-43-264 % similar
4-Bromo-2-nitrobenzoic acid99277-71-164 % similar
2-Methyl-3-nitrobenzoic acid1975-50-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.