2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid
Properties
- Molecular formula
- C8H4F3NO4
- Molar mass
- 235.12 g/mol
- Exact mass
- 235.0092 Da
- logP
- 2.02Crippen estimate
- Polar surface area
- 80.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
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
167887-95-8SMILES
CC1=C(C(=C(C(=C1F)F)[N+](=O)[O-])C(=O)O)FInChIKey
LXDITRBZRZATMT-UHFFFAOYSA-NInChI
InChI=1S/C8H4F3NO4/c1-2-4(9)3(8(13)14)7(12(15)16)6(11)5(2)10/h1H3,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid
Similar compounds
2,3,4,5-Tetrafluoro-6-nitrobenzoic acid16583-08-775 % similar
2,3,5,6-Tetrafluoro-4-methylbenzoic acid652-32-458 % similar
3,5-Dimethyl-4-nitrobenzoic acid3095-38-349 % similar
2,6-Difluoro-3-nitrobenzoic acid83141-10-048 % similar
5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-547 % similar
4-Methyl-3,5-dinitrobenzoic acid16533-71-445 % similar
Pentafluoronitrobenzene880-78-444 % similar
2,3,4-Trifluoro-5-nitro-benzoic acid197520-71-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds