Basic information
- CAS
33021-67-9- Standard SMILES
Cc1cc(C)c(NC(=O)NCCCl)c(C)c1- InChIKey
HEVQKTSFRAXZIU-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O
- Average molar mass
- 240.73 g/mol
- Monoisotopic mass
- 240.1029409
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-mesityl-
- IUPAC
- 1-(2-chloroethyl)-3-(2,4,6-trimethylphenyl)urea
Names & synonyms
1-(2-Chloroethyl)-3-mesitylureaUrea, 1-(2-chloroethyl)-3-mesityl-33021-67-9NSC 102251BRN 2119908DTXSID30186669RefChem:387364DTXCID20109160XP3KS2SBW2NSC-102251N-(2-Chloroethyl)-N'-(2,4,6-trimethylphenyl)urea1-(2-chloroethyl)-3-(2,4,6-trimethylphenyl)urea
Show more names
NSC102251Urea, N-(2-chloroethyl)-N'-(2,4,6-trimethylphenyl)-UNII-XP3KS2SBW2NCIOpen2_006754CHEMBL159252SCHEMBL6697640
Database identifiers
- CAS
33021-67-9- PubChem CID
- 97149
- DTXSID
DTXSID30186669- ChEMBL
CHEMBL159252- UNII
- XP3KS2SBW2
- Nikkaji
- J83.882I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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