1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]
Basic information
- CAS
13908-69-5- Standard SMILES
O=C(NCCCl)Nc1ccc(NC(=O)NCCCl)cc1- InChIKey
JWHWQBGXRFLSGK-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N4O2
- Average molar mass
- 319.18 g/mol
- Monoisotopic mass
- 318.0650312
Names & identifiers
- Preferred name
- 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]
- IUPAC
- 1-(2-chloroethyl)-3-[4-(2-chloroethylcarbamoylamino)phenyl]urea
Names & synonyms
13908-69-51,1'-benzene-1,4-diylbis[3-(2-chloroethyl)urea]NSC80351NCIOpen2_009009DTXSID20292102NSC-80351AKOS024300273N,N'-1,4-Phenylenebis[N'-(2-chloroethyl)urea]1,1'-(1,4-phenylene)bis(3-(2-chloroethyl)urea)
Database identifiers
- CAS
13908-69-5- PubChem CID
- 255111
- DTXSID
DTXSID20292102
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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