2-(2-Chloroprop-2-enylamino)benzoic acid
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Basic information
- CAS
1013-97-4- Standard SMILES
C=C(Cl)CNc1ccccc1C(=O)O- InChIKey
PTGMQPRBCPDTBB-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
- Monoisotopic mass
- 211.0400063
Names & identifiers
- Preferred name
- 2-(2-Chloroprop-2-enylamino)benzoic acid
- IUPAC
- 2-(2-chloroprop-2-enylamino)benzoic acid
Names & synonyms
1013-97-42-(2-chloroprop-2-enylamino)benzoic acidNSC273825DTXSID40313646NSC-2738252-[(2-chloroprop-2-en-1-yl)amino]benzoic acid
Database identifiers
- CAS
1013-97-4- PubChem CID
- 321599
- DTXSID
DTXSID40313646
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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