Basic information
- CAS
87923-93-1- Standard SMILES
O=CNc1ccc(C(=O)O)cc1Cl- InChIKey
NEKGVSUAUCEBDP-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 3-Chloro-4-formamidobenzoic acid
- IUPAC
- 3-chloro-4-formamidobenzoic acid
Names & synonyms
3-Chloro-4-formamidobenzoic acid87923-93-1SCHEMBL10470789DTXSID30709074NEKGVSUAUCEBDP-UHFFFAOYSA-NAKOS013641875
Database identifiers
- CAS
87923-93-1- PubChem CID
- 54106956
- DTXSID
DTXSID30709074
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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