Basic information
- CAS
13206-67-2- Standard SMILES
O=NN(CCCl)C(=O)Nc1ccccc1- InChIKey
NTFJBCLCDARIRQ-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3O2
- Average molar mass
- 227.65 g/mol
- Monoisotopic mass
- 227.0461543
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-phenylurea
Names & synonyms
13206-67-2Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-Urea, N-(2-chloroethyl)-N-nitroso-N'-phenyl-NSC-74253N-(2-Chloroethyl)-N-nitroso-N'-phenylureaNSC74253NSC 74253X2597LS6JMUrea, N-(2-chloroethyl)-N-nitroso-N'-phenyl- (9CI)DTXSID50157331
Database identifiers
- CAS
13206-67-2- PubChem CID
- 83232
- DTXSID
DTXSID50157331- UNII
- X2597LS6JM
- Nikkaji
- J1.574.741B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
LogP2.49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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