| CAS Number | 112822-79-4 |
| Catalog Number | AG00HCFX(AGN-PC-0009EB) |
| Chemical Name | 5-Bromo-2,4-difluoro-3-methylbenzenamine |
| IUPAC Name | 5-bromo-2,4-difluoro-3-methylaniline |
| InChI | InChI=1S/C7H6BrF2N/c1-3-6(9)4(8)2-5(11)7(3)10/h2H,11H2,1H3 |
| InChI Key | ANPBREPSXQLUIF-UHFFFAOYSA-N |
| MDL Number | MFCD16620248 |
| Molecular Formula | C7H6BrF2N |
| Molecular Weight | 222.0300 |
| SMILES | Fc1c(N)cc(c(c1C)F)Br |
| Synonyms | 5-Bromo-2,4-difluoro-3-methylbenzenamine,
112822-79-4,
5-Bromo-2,4-difluoro-3-methylaniline,
SCHEMBL9675381,
ANPBREPSXQLUIF-UHFFFAOYSA-N,
MFCD16620248,
ZINC34214761,
|
| 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
Lot Number