Basic information
- CAS
66929-49-5- Standard SMILES
O=NN(CCCl)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
YMZBWQFLKLSTLM-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4O4
- Average molar mass
- 272.64 g/mol
- Monoisotopic mass
- 272.0312325
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-(4-nitrophenyl)-1-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-(4-nitrophenyl)-1-nitrosourea
- English name
- 1-(2-Chloroethyl)-3-(4-nitrophenyl)-1-nitrosourea
- Molecular formula
- C9H9ClN4O4
- Molecular weight
- 272.65
Names & synonyms
66929-49-5Urea, N-(2-chloroethyl)-N'-(4-nitrophenyl)-N-nitroso-1-(2-Chloroethyl)-3-(4-nitrophenyl)-1-nitrosoureaDTXSID50217080N-(2-Chloroethyl)-N'-(4-nitrophenyl)-N-nitrosourea
Database identifiers
- CAS
66929-49-5- PubChem CID
- 149402
- DTXSID
DTXSID50217080
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
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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