Basic information
- CAS
7499-72-1- Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)c1cccs1- InChIKey
SHNVXCUVZRYCAM-UHFFFAOYSA-N- Molecular formula
- C12H7NO5S
- Average molar mass
- 277.25 g/mol
- Monoisotopic mass
- 277.0044935
Names & identifiers
- Preferred name
- 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid
- IUPAC
- 4-nitro-2-(thiophene-2-carbonyl)benzoic acid
Names & synonyms
7499-72-14-nitro-2-(thiophene-2-carbonyl)benzoic acidNSC407692Benzoicacid, 4-nitro-2-(2-thienylcarbonyl)-DTXSID60324779NSC-407692
Database identifiers
- CAS
7499-72-1- PubChem CID
- 348409
- DTXSID
DTXSID60324779
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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