| CAS Number | 1980063-54-4 |
| Catalog Number | AG01BJA6 |
| Chemical Name | 4-(Difluoromethyl)aniline hydrochloride |
| IUPAC Name | 4-(difluoromethyl)aniline;hydrochloride |
| InChI | InChI=1S/C7H7F2N.ClH/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,7H,10H2;1H |
| InChI Key | ONCQIBIEQYPTRG-UHFFFAOYSA-N |
| MDL Number | MFCD28145075 |
| Molecular Formula | C7H8ClF2N |
| Molecular Weight | 179.5949 |
| SMILES | NC1=CC=C(C(F)F)C=C1.[H]Cl |
| Synonyms | 4-(Difluoromethyl)aniline hydrochloride,
1980063-54-4,
SCHEMBL9901806,
MFCD28145075,
AKOS030623243,
PC57048,
AK671306,
DS-19979,
AX8263076,
|
| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.595g/mol |
| Monoisotopic Mass | 179.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number