| CAS Number | 1504951-15-8 |
| Catalog Number | AG01BESD |
| Chemical Name | 2-Bromo-6-fluoro-3-methylaniline |
| IUPAC Name | 2-bromo-6-fluoro-3-methylaniline |
| InChI | InChI=1S/C7H7BrFN/c1-4-2-3-5(9)7(10)6(4)8/h2-3H,10H2,1H3 |
| InChI Key | ZQJFDFVJQTVXFA-UHFFFAOYSA-N |
| MDL Number | MFCD28139368 |
| Molecular Formula | C7H7BrFN |
| Molecular Weight | 204.0396 |
| SMILES | CC1=C(Br)C(N)=C(F)C=C1 |
| Synonyms | 2-Bromo-6-fluoro-3-methylaniline,
1504951-15-8,
SCHEMBL20721936,
ZINC75915339,
AKOS023126062,
Z1949075885,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.042g/mol |
| Monoisotopic Mass | 202.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number