Basic information
- CAS
23417-39-2- Standard SMILES
Cc1ccc(NC(=O)NCCBr)cc1C- InChIKey
QDACXZIAKSCSEG-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2O
- Average molar mass
- 271.15 g/mol
- Monoisotopic mass
- 270.03678
Names & identifiers
- Preferred name
- Urea, 1-(2-bromoethyl)-3-(3,4-xylyl)-
- IUPAC
- 1-(2-bromoethyl)-3-(3,4-dimethylphenyl)urea
Names & synonyms
23417-39-2Urea, 1-(2-bromoethyl)-3-(3,4-xylyl)-1-(2-Bromoethyl)-3-(3,4-xylyl)ureaBA3CCX3UY4NSC 1600663-(2-Bromoethyl)-1-(3,4-xylyl)ureaNSC-160066DTXSID70177970N-(2-BROMOETHYL)-N'-(3,4-DIMETHYLPHENYL)UREAUREA, N-(2-BROMOETHYL)-N'-(3,4-DIMETHYLPHENYL)-RefChem:203421DTXCID30100461
Show more names
NSC160066UNII-BA3CCX3UY4DS-012534Urea,n-(2-bromoethyl)-n-(3,4-dimethylphenyl)-
Database identifiers
- CAS
23417-39-2- PubChem CID
- 98703
- DTXSID
DTXSID70177970- UNII
- BA3CCX3UY4
- Nikkaji
- J83.819E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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