Basic information
- CAS
2045-23-0- Standard SMILES
O=C(O)c1ccc(NCCCl)cc1- InChIKey
UWDKMSKDFPXPAM-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- Benzoic acid, p-(2-chloroethyl)amino-
- IUPAC
- 4-(2-chloroethylamino)benzoic acid
- English name
- 4-[(2-Chloroethyl)amino]benzoic acid
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
2045-23-0p-((2-Chloroethyl)amino)benzoic acidBENZOIC ACID, p-(2-CHLOROETHYL)AMINO-BRN 2803827DTXSID70174404RefChem:327813DTXCID60968954-[(2-Chloroethyl)amino]benzoic acidSCHEMBL15961877Benzoic acid, 4-[(2-chloroethyl)amino]-
Database identifiers
- CAS
2045-23-0- PubChem CID
- 16286
- DTXSID
DTXSID70174404- Nikkaji
- J41.199J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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