Basic information
- CAS
100853-84-7- Standard SMILES
Cc1ncc(CNC(=O)N(CCCl)N=O)cn1- InChIKey
DYLYSMLVNLEGMG-UHFFFAOYSA-N- Molecular formula
- C9H12ClN5O2
- Average molar mass
- 257.68 g/mol
- Monoisotopic mass
- 257.0679523
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitrosourea
Names & synonyms
100853-84-7Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-DTXSID40143546N-(2-Chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitrosoureaN-(2-Chloroethyl)-N'-[(2-methylpyrimidin-5-yl)methyl]-N-nitrosourea
Database identifiers
- CAS
100853-84-7- PubChem CID
- 149093
- DTXSID
DTXSID40143546- Nikkaji
- J392.850K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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