| CAS Number | 1374298-68-6 |
| Catalog Number | AG01ABP6 |
| Chemical Name | 5-(Difluoromethyl)-2-fluoroaniline |
| IUPAC Name | 5-(difluoromethyl)-2-fluoroaniline |
| InChI | InChI=1S/C7H6F3N/c8-5-2-1-4(7(9)10)3-6(5)11/h1-3,7H,11H2 |
| InChI Key | HBLBZRFEMBNPGK-UHFFFAOYSA-N |
| MDL Number | MFCD24645334 |
| Molecular Formula | C7H6F3N |
| Molecular Weight | 161.1244 |
| SMILES | FC(C=1C=CC(=C(N)C1)F)F |
| Synonyms | 5-(difluoromethyl)-2-fluoroaniline,
1374298-68-6,
SCHEMBL2698840,
HBLBZRFEMBNPGK-UHFFFAOYSA-N,
AKOS024051846,
ZINC139880023,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.127g/mol |
| Monoisotopic Mass | 161.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number