| CAS Number | 1807176-08-4 |
| Catalog Number | AG01FHF5(AGN-PC-3H4AOJ) |
| Chemical Name | 2-Amino-6-fluoro-4-(trifluoromethyl)benzonitrile |
| IUPAC Name | 2-amino-6-fluoro-4-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H4F4N2/c9-6-1-4(8(10,11)12)2-7(14)5(6)3-13/h1-2H,14H2 |
| InChI Key | CBOIQUHGIYWOAB-UHFFFAOYSA-N |
| MDL Number | MFCD27975492 |
| Molecular Formula | C8H4F4N2 |
| Molecular Weight | 204.1244 |
| SMILES | N#Cc1c(N)cc(cc1F)C(F)(F)F |
| Synonyms | 2-Amino-6-fluoro-4-(trifluoromethyl)benzonitrile,
1807176-08-4,
MFCD27975492,
ZINC97442035,
FCH2511940,
PC500320,
PS-11393,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.128g/mol |
| Monoisotopic Mass | 204.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number