| CAS Number | 1098353-63-9 |
| Catalog Number | AG01AYK6(AGN-PC-0WOF8P) |
| Chemical Name | 4-bromo-2-chloro-N-(propan-2-yl)aniline |
| IUPAC Name | 4-bromo-2-chloro-N-propan-2-ylaniline |
| InChI | InChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3 |
| InChI Key | MMEBZTPZVFYIEJ-UHFFFAOYSA-N |
| MDL Number | MFCD11643620 |
| Molecular Formula | C9H11BrClN |
| Molecular Weight | 248.5473 |
| SMILES | CC(NC1=CC=C(Br)C=C1Cl)C |
| Synonyms | 4-bromo-2-chloro-N-(propan-2-yl)aniline,
1098353-63-9,
ZINC37388614,
AKOS009050858,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.548g/mol |
| Monoisotopic Mass | 246.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number