Basic information
- Standard SMILES
O=C(O)c1cc(Oc2ccc(C(F)(F)F)c(Cl)c2)ccc1[N+](=O)[O-]- InChIKey
MSLIVVZLNOWYEW-UHFFFAOYSA-N- Molecular formula
- C14H7ClF3NO5
- Average molar mass
- 361.65 g/mol
Names & identifiers
- Preferred name
- 2-Nitro-5-(2-chloro-alpha,alpha,alpha-trifluoro-4-tolyloxy) benzoic acid
- IUPAC
- 5-[3-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
Names & synonyms
2-nitro-5-(2-chloro-alpha,alpha,alpha-trifluoro-4-tolyloxy) benzoic acidSCHEMBL14896568
Database identifiers
- PubChem CID
- 86747367
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
Related reactions
3 records
Compound notes
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