| CAS Number | 886762-28-3 |
| Catalog Number | AG00IFBH(AGN-PC-0KL1SN) |
| Chemical Name | 2-Chloro-4-(trifluoromethyl)nicotinamide |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)pyridine-3-carboxamide |
| InChI | InChI=1S/C7H4ClF3N2O/c8-5-4(6(12)14)3(1-2-13-5)7(9,10)11/h1-2H,(H2,12,14) |
| InChI Key | MHZFYGMDUWFDLU-UHFFFAOYSA-N |
| MDL Number | MFCD04039215 |
| Molecular Formula | C7H4ClF3N2O |
| Molecular Weight | 224.5677 |
| SMILES | ClC1(=NC=CC(=C1C(=O)N)C(F)(F)F) |
| Synonyms | 2-Chloro-4-(trifluoromethyl)nicotinamide,
886762-28-3,
2-chloro-4-(trifluoromethyl)pyridine-3-carboxamide,
AC1MD2RJ,
CTK7D2540,
KS-00001PUJ,
DTXSID30382189,
ZINC2525735,
ZX-AP011113,
1997AF,
MFCD04039215,
SBB096715,
AKOS015991225,
AE-0232,
FCH1320858,
MCULE-1386134822,
PC10156,
AJ-37511,
AX8248751,
C7H4ClF3N2O,
CID2782646,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.567g/mol |
| Monoisotopic Mass | 223.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number