Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-
Basic information
- CAS
102433-36-3- Standard SMILES
N#CC(NC(=O)NCCCl)c1ccccc1- InChIKey
OOFLZNYWYLBUQX-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.0668897
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-
- IUPAC
- 1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea
Names & synonyms
Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-1(2-Chloroethyl)-3-(alpha-cyanobenzyl)urea102433-36-3RefChem:387354NSC162340DTXSID60907541NSC-162340N'-(2-Chloroethyl)-N-[cyano(phenyl)methyl]carbamimidic acid
Database identifiers
- CAS
102433-36-3- PubChem CID
- 294284
- DTXSID
DTXSID60907541- Nikkaji
- J83.843H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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