Basic information
- CAS
90346-91-1- Standard SMILES
CN(N=O)C(=O)NCc1ccc(Cl)cc1- InChIKey
WCDOPVLFGFQFPN-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3O2
- Average molar mass
- 227.65 g/mol
- Monoisotopic mass
- 227.0461543
Names & identifiers
- Preferred name
- N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea
- IUPAC
- 3-[(4-chlorophenyl)methyl]-1-methyl-1-nitrosourea
Names & synonyms
90346-91-1NSC75938N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosoureaDTXSID60291492NSC-75938DS-0140013-[(4-chlorophenyl)methyl]-1-methyl-1-nitroso-urea
Database identifiers
- CAS
90346-91-1- PubChem CID
- 253255
- DTXSID
DTXSID60291492
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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