| CAS Number | 125903-76-6 |
| Catalog Number | AG00JSX1(AGN-PC-0PI6GV) |
| Chemical Name | 2-(3-(Trifluoromethyl)phenyl)acetimidamide hydrochloride |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride |
| InChI | InChI=1S/C9H9F3N2.ClH/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14;/h1-4H,5H2,(H3,13,14);1H |
| InChI Key | LUEFQIQZHSTGGN-UHFFFAOYSA-N |
| MDL Number | MFCD14237290 |
| Molecular Formula | C9H10ClF3N2 |
| Molecular Weight | 238.6373 |
| SMILES | Cl.NC(CC1=CC(C(F)(F)F)=CC=C1)=N |
| Synonyms | 125903-76-6,
2-[3-(Trifluoromethyl)phenyl]ethanimidamide hydrochloride,
SCHEMBL214006,
KS-00001KOS,
MFCD14237290,
AKOS027428130,
SB15455,
EN300-190497,
2-(3-(Trifluoromethyl)phenyl)acetimidamide hydrochloride,
2-[3-(trifluoromethyl)phenyl]ethanimidamidehydrochloride,
Z1945984226,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.638g/mol |
| Monoisotopic Mass | 238.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number