| CAS Number | 1820706-93-1 |
| Catalog Number | AG01FH7Q(AGN-PC-3H4AM3) |
| Chemical Name | 2,3-Diamino-5-bromo-6-fluorobenzotrifluoride |
| IUPAC Name | 5-bromo-4-fluoro-3-(trifluoromethyl)benzene-1,2-diamine |
| InChI | InChI=1S/C7H5BrF4N2/c8-2-1-3(13)6(14)4(5(2)9)7(10,11)12/h1H,13-14H2 |
| InChI Key | IFMPVXHKPSFSNN-UHFFFAOYSA-N |
| MDL Number | MFCD28515424 |
| Molecular Formula | C7H5BrF4N2 |
| Molecular Weight | 273.0256 |
| SMILES | Nc1cc(Br)c(c(c1N)C(F)(F)F)F |
| Synonyms | 5-Bromo-4-fluoro-3-(trifluoromethyl)benzene-1,2-diamine,
1820706-93-1,
MFCD28515424,
ZINC169798171,
FCH3696878,
PC50108,
PS-10960,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.029g/mol |
| Monoisotopic Mass | 271.957g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number