| CAS Number | 1019616-06-8 |
| Catalog Number | AG01AXRZ(AGN-PC-0WOFAY) |
| Chemical Name | 2-bromo-4-methyl-N-(propan-2-yl)aniline |
| IUPAC Name | 2-bromo-4-methyl-N-propan-2-ylaniline |
| InChI | InChI=1S/C10H14BrN/c1-7(2)12-10-5-4-8(3)6-9(10)11/h4-7,12H,1-3H3 |
| InChI Key | DITHSTPMDKNNHE-UHFFFAOYSA-N |
| MDL Number | MFCD11141242 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | CC(NC1=CC=C(C)C=C1Br)C |
| Synonyms | 2-bromo-4-methyl-N-(propan-2-yl)aniline,
1019616-06-8,
ZINC19901645,
AKOS000231518,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.03096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.13g/mol |
| Monoisotopic Mass | 227.03096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number