Basic information
- CAS
13908-92-4- Standard SMILES
O=NN(CCF)C(=O)NCCCl- InChIKey
SMNFXAFXLXHKSF-UHFFFAOYSA-N- Molecular formula
- C5H9ClFN3O2
- Average molar mass
- 197.59 g/mol
- Monoisotopic mass
- 197.0367324
Names & identifiers
- Preferred name
- Urea, N'-(2-chloroethyl)-N-(2-fluoroethyl)-N-nitroso-
- IUPAC
- 3-(2-chloroethyl)-1-(2-fluoroethyl)-1-nitrosourea
- English name
- 3-(2-chloroethyl)-1-(2-fluoroethyl)-1-nitroso-urea
- Molecular formula
- C5H9ClFN3O2
- Molecular weight
- 0
Names & synonyms
13908-92-4N'-(2-Chloroethyl)-N-(2-fluoroethyl)-N-nitrosoureaUrea, 1-(2-chloroethyl)-3-(2-fluoroethyl)-3-nitroso-Urea, 3-(2-chloroethyl)-1-(2-fluoroethyl)-1-nitroso-Urea, N'-(2-chloroethyl)-N-(2-fluoroethyl)-N-nitroso-NSC 154098BRN 22619431-(2-Chloroethyl)-3-(2-fluoroethyl)-3-nitrosoureaDTXSID20160897RefChem:387684DTXCID5083388Urea, 3-(2-chloroethyl)-1-(2-fluoroethyl)-1-nitroso-(8CI)
Show more names
Urea, N'-(2-chloroethyl)-N-(2-fluoroethyl)-N-nitroso-(9CI)3-(2-CHLOROETHYL)-1-(2-FLUOROETHYL)-1-NITROSO-UREANSC-1540983-(2-chloroethyl)-1-(2-fluoroethyl)-1-nitrosoureaNSC154098XQ2V25QY5KCHEMBL325632SCHEMBL25309077
Database identifiers
- CAS
13908-92-4- PubChem CID
- 83806
- DTXSID
DTXSID20160897- ChEMBL
CHEMBL325632- UNII
- XQ2V25QY5K
- Nikkaji
- J48.888G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
LogP0.95
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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