| CAS Number | 74702-40-2 |
| Catalog Number | AG00FGGA(AGN-PC-0JMGTC) |
| Chemical Name | N-(4-(Trifluoromethyl)phenyl) formamide |
| IUPAC Name | N-[4-(trifluoromethyl)phenyl]formamide |
| InChI | InChI=1S/C8H6F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-5H,(H,12,13) |
| InChI Key | VBKNPSYHKKJAFB-UHFFFAOYSA-N |
| MDL Number | MFCD18206275 |
| Molecular Formula | C8H6F3NO |
| Molecular Weight | 189.1345 |
| SMILES | FC(F)(F)C1=CC=C(NC=O)C=C1 |
| Synonyms | 74702-40-2,
N-(4-(Trifluoromethyl)phenyl) formamide,
4-(Trifluoromethyl)formanilide,
N-(4-(trifluoromethyl)phenyl)formamide,
N-[4-(trifluoromethyl)phenyl]formamide,
NSC403006,
AC1L82NS,
SCHEMBL183175,
DTXSID60323085,
VBKNPSYHKKJAFB-UHFFFAOYSA-N,
ZINC1595333,
MFCD18206275,
NSC403005,
AKOS014320092,
N-(4-trifluoromethyl-phenyl)-formamide,
NSC-403005,
NSC-403006,
AS-44540,
FT-0081717,
FT-0651212,
CID345386,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.137g/mol |
| Monoisotopic Mass | 189.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number