1-(2-Chloroethyl)-3-(2-methylphenyl)urea
Basic information
- CAS
13908-38-8- Standard SMILES
Cc1ccccc1NC(=O)NCCCl- InChIKey
JWZRJELOQYZYDW-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0716407
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-(2-methylphenyl)urea
- IUPAC
- 1-(2-chloroethyl)-3-(2-methylphenyl)urea
Names & synonyms
13908-38-81-(2-chloroethyl)-3-(2-methylphenyl)ureaN-(2-CHLOROETHYL)-N'-(2-METHYLPHENYL)UREANSC91735NCIOpen2_005518CHEMBL161136DTXSID90293722NSC-91735AKOS023092669
Database identifiers
- CAS
13908-38-8- PubChem CID
- 260445
- DTXSID
DTXSID90293722- ChEMBL
CHEMBL161136- Nikkaji
- J629.385I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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