1-(2-Chloroethyl)-3-phenylurea
Basic information
- CAS
7144-13-0- Standard SMILES
O=C(NCCCl)Nc1ccccc1- InChIKey
GLAQLBSPTKQTEY-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O
- Average molar mass
- 198.65 g/mol
- Monoisotopic mass
- 198.0559907
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-phenylurea
- IUPAC
- 1-(2-chloroethyl)-3-phenylurea
- English name
- NSC73440
- Molecular formula
- C9H11ClN2O
- Molecular weight
- 198.65
Names & synonyms
1-(2-chloroethyl)-3-phenylurea7144-13-0DTXSID30291141RefChem:223346DTXCID60242287N-(2-chloroethyl)-N'-phenylureaNSC73440NCIOpen2_000634N-phenyl-N'-2-chloroethylureaCHEMBL160067SCHEMBL2236638NSC-73440
Show more names
Urea, N-(2-chloroethyl)-N'-phenyl-
AKOS008937139NCI60_041608
Database identifiers
- CAS
7144-13-0- PubChem CID
- 252145
- DTXSID
DTXSID30291141- ChEMBL
CHEMBL160067- Nikkaji
- J472.869F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 297.4 · 297.4±32.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 11.67 · 11.67±0.46(Predicted)
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Related reactions
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Compound notes
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