| CAS Number | 1092461-38-5 |
| Catalog Number | AG00HBE4(AGN-PC-0WAOPS) |
| Chemical Name | 3-Chloro-2-fluoro-6-(trifluoromethyl)aniline |
| IUPAC Name | 3-chloro-2-fluoro-6-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4ClF4N/c8-4-2-1-3(7(10,11)12)6(13)5(4)9/h1-2H,13H2 |
| InChI Key | ZHDSWEWAMCTWAZ-UHFFFAOYSA-N |
| MDL Number | MFCD11519381 |
| Molecular Formula | C7H4ClF4N |
| Molecular Weight | 213.56 |
| SMILES | C1(C=CC(=C(F)C=1N)Cl)C(F)(F)F |
| Synonyms | 3-CHLORO-2-FLUORO-6-(TRIFLUOROMETHYL)ANILINE,
1092461-38-5,
SCHEMBL14691286,
CTK6G8844,
ZHDSWEWAMCTWAZ-UHFFFAOYSA-N,
MFCD11519381,
SBB094845,
ZINC71867329,
AKOS015956983,
FCH1325554,
JS-4887,
PC302193,
2-Amino-4-chloro-3-fluorobenzotrifluoride,
3-Chloro-2-fluoro-6-(trifluoromethyl)benzenamine,
3-chloro-2-fluoro-6-(trifluoromethyl)phenylamine,
3-Chloro-2-fluoro-6-(trifluoromethyl)aniline, JRD,
3-Chloro-2-fluoro-6-(trifluoromethyl)aniline, 97%,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.56g/mol |
| Monoisotopic Mass | 212.997g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number