| CAS Number | 1247192-13-7 |
| Catalog Number | AG01DTF7 |
| Chemical Name | 4-bromo-2-chloro-N-cyclobutylaniline |
| IUPAC Name | 4-bromo-2-chloro-N-cyclobutylaniline |
| InChI | InChI=1S/C10H11BrClN/c11-7-4-5-10(9(12)6-7)13-8-2-1-3-8/h4-6,8,13H,1-3H2 |
| InChI Key | KZNKRHPQUKMIPL-UHFFFAOYSA-N |
| MDL Number | MFCD16108139 |
| Molecular Formula | C10H11BrClN |
| Molecular Weight | 260.558 |
| SMILES | ClC1=C(NC2CCC2)C=CC(Br)=C1 |
| Synonyms | 4-bromo-2-chloro-N-cyclobutylaniline,
1247192-13-7,
AKOS011047636,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.559g/mol |
| Monoisotopic Mass | 258.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number