| CAS Number | 656-96-2 |
| Catalog Number | AG01BH6D(AGN-PC-0THT7R) |
| Chemical Name | n-[4-Chloro-3-(trifluoromethyl)phenyl]formamide |
| IUPAC Name | N-[4-chloro-3-(trifluoromethyl)phenyl]formamide |
| InChI | InChI=1S/C8H5ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-4H,(H,13,14) |
| InChI Key | JCGSMHPPPSDAKF-UHFFFAOYSA-N |
| MDL Number | MFCD21132521 |
| Molecular Formula | C8H5ClF3NO |
| Molecular Weight | 223.5796 |
| NSC Number | 53663 |
| SMILES | FC(C1=C(Cl)C=CC(NC=O)=C1)(F)F |
| Synonyms | n-[4-chloro-3-(trifluoromethyl)phenyl]formamide,
656-96-2,
NSC53663,
AC1L6BVD,
AC1Q4JM0,
SCHEMBL7534632,
ZINC1684603,
NSC-53663,
AKOS014323686,
AR-1K4157,
CID243580,
2-(4,4-dithiophen-2-ylbut-3-en-2-yl)pyridine,hydrochloride,
2327-99-3,
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| Complexity | 209 |
| 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 | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number