| CAS Number | 254880-52-9 |
| Catalog Number | AG00LUQF(AGN-PC-3H456D) |
| Chemical Name | 2-Chloro-4-(trifluoromethyl)benzamide |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C8H5ClF3NO/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H2,13,14) |
| InChI Key | FGKMHYWFFNKDPW-UHFFFAOYSA-N |
| MDL Number | MFCD01571094 |
| Molecular Formula | C8H5ClF3NO |
| Molecular Weight | 223.5796 |
| SMILES | ClC1=C(C(=O)N)C=CC(=C1)C(F)(F)F |
| Synonyms | 2-Chloro-4-(trifluoromethyl)benzamide,
254880-52-9,
AC1LD138,
SCHEMBL2856789,
DTXSID90346181,
FGKMHYWFFNKDPW-UHFFFAOYSA-N,
ZINC4389576,
2-Chloro-4-trifluoromethyl-benzamide,
MFCD01571094,
FS-5819,
Benzamide, 2-chloro-4-trifluoromethyl-,
2-Chloro-4-(trifluoromethyl)benzamide #,
CID610217,
ZINC04389576,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.579g/mol |
| Monoisotopic Mass | 223.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number