| CAS Number | 1951439-70-5 |
| Catalog Number | AG00I36M(AGN-PC-0WQWM3) |
| Chemical Name | 2-bromo-3,6-difluoro-4-methylaniline |
| IUPAC Name | 2-bromo-3,6-difluoro-4-methylaniline |
| InChI | InChI=1S/C7H6BrF2N/c1-3-2-4(9)7(11)5(8)6(3)10/h2H,11H2,1H3 |
| InChI Key | QGIMUCTUHSVKRC-UHFFFAOYSA-N |
| MDL Number | MFCD29764364 |
| Molecular Formula | C7H6BrF2N |
| Molecular Weight | 222.0300 |
| SMILES | Fc1cc(C)c(c(c1N)Br)F |
| Synonyms | 2-Bromo-3,6-difluoro-4-methylaniline,
1951439-70-5,
ZINC390824778,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.033g/mol |
| Monoisotopic Mass | 220.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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