Basic information
- Standard SMILES
O=C(O)c1c(Cl)c(Cl)cc([N+](=O)[O-])c1Cl- InChIKey
SMCNYDNOUJWRBX-UHFFFAOYSA-N- Molecular formula
- C7H2Cl3NO4
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 268.904941
Names & identifiers
- Preferred name
- 3-Nitro-2,5,6-trichlorobenzoic acid
- IUPAC
- 2,3,6-trichloro-5-nitrobenzoic acid
Names & synonyms
SCHEMBL9422869SMCNYDNOUJWRBX-UHFFFAOYSA-N3-nitro-2,5,6-trichlorobenzoic acid
Database identifiers
- PubChem CID
- 19094239
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Related reactions
2 records
Compound notes
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