| CAS Number | 287398-80-5 |
| Catalog Number | AG00C3DK(AGN-PC-0WAOA1) |
| Chemical Name | 3-Fluoro-2-(trifluoromethyl)benzamide |
| IUPAC Name | 3-fluoro-2-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C8H5F4NO/c9-5-3-1-2-4(7(13)14)6(5)8(10,11)12/h1-3H,(H2,13,14) |
| InChI Key | JEHSVMLIHCECTD-UHFFFAOYSA-N |
| MDL Number | MFCD01631492 |
| Molecular Formula | C8H5F4NO |
| Molecular Weight | 207.1250 |
| SMILES | O=C(N)C1=CC=CC(F)=C1C(F)(F)F |
| Synonyms | 3-Fluoro-2-(trifluoromethyl)benzamide,
287398-80-5,
3-fluoro-2-trifluoromethylbenzamide,
AC1MCOX9,
SCHEMBL2584583,
CTK7D2731,
DTXSID10379214,
JRD-1212,
ZINC2382157,
ZX-AP006156,
MFCD01631492,
PC0386,
SBB093803,
AKOS015853178,
FCH1321623,
JS-4211,
TR-039768,
ZINC02382157,
CID2774778,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.128g/mol |
| Monoisotopic Mass | 207.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number