N'-(4-Bromophenyl)-N-(2-chloroethyl)-N-nitrosourea
Basic information
- CAS
15145-43-4- Standard SMILES
O=NN(CCCl)C(=O)Nc1ccc(Br)cc1- InChIKey
HTQOVPIHQVJTEI-UHFFFAOYSA-N- Molecular formula
- C9H9BrClN3O2
- Average molar mass
- 306.54 g/mol
- Monoisotopic mass
- 304.95667
Names & identifiers
- Preferred name
- N'-(4-Bromophenyl)-N-(2-chloroethyl)-N-nitrosourea
- IUPAC
- 3-(4-bromophenyl)-1-(2-chloroethyl)-1-nitrosourea
Names & synonyms
15145-43-4DTXSID70295961N'-(4-Bromophenyl)-N-(2-chloroethyl)-N-nitrosoureaRefChem:358042DTXCID00247099NSC106535NSC-106535Urea, 3-(p-bromophenyl)-1-(2-chloroethyl)-1-nitroso-
Database identifiers
- CAS
15145-43-4- PubChem CID
- 267346
- DTXSID
DTXSID70295961
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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