Basic information
- CAS
33022-06-9- Standard SMILES
Cc1cc(C)c(NC(=O)N(CCCl)N=O)c(C)c1- InChIKey
FBUJDSPUSQUDOE-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O2
- Average molar mass
- 269.73 g/mol
- Monoisotopic mass
- 269.0931045
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,4,6-trimethylphenyl)-
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-(2,4,6-trimethylphenyl)urea
Names & synonyms
33022-06-9Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,4,6-trimethylphenyl)-NSC-10286337H5FK5CFRDTXSID20186678N-(2-Chloroethyl)-N-nitroso-N'-(2,4,6-trimethylphenyl)ureaRefChem:1100829DTXCID60109169Urea, 1-(2-chloroethyl)-3-mesityl-1-nitroso-1-(2-Chloroethyl)-1-nitroso-3-(2,4,6-trimethylphenyl)ureaNSC 102863BRN 2150131
Show more names
NSC102863Urea,4,6-trimethylphenyl)-CHEMBL12667Urea, 1-(2-chloroethyl)-1-nitroso-3-(2,4,6-trimethylphenyl)-Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,4,6-trimethylphenyl)- (9CI)DS-000235
Database identifiers
- CAS
33022-06-9- PubChem CID
- 97172
- DTXSID
DTXSID20186678- ChEMBL
CHEMBL12667- UNII
- 37H5FK5CFR
- Nikkaji
- J83.908F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…