| CAS Number | 219793-95-0 |
| Catalog Number | AG01B1FV(AGN-PC-0KLALL) |
| Chemical Name | 2-cyano-N-[(2,4-difluorophenyl)methyl]acetamide |
| IUPAC Name | 2-cyano-N-[(2,4-difluorophenyl)methyl]acetamide |
| InChI | InChI=1S/C10H8F2N2O/c11-8-2-1-7(9(12)5-8)6-14-10(15)3-4-13/h1-2,5H,3,6H2,(H,14,15) |
| InChI Key | DTMOJQIOQZYCJV-UHFFFAOYSA-N |
| MDL Number | MFCD00828773 |
| Molecular Formula | C10H8F2N2O |
| Molecular Weight | 210.1801 |
| SMILES | FC1=CC(F)=C(CNC(CC#N)=O)C=C1 |
| Synonyms | 2-cyano-N-[(2,4-difluorophenyl)methyl]acetamide,
219793-95-0,
2-cyano-N-(2,4-difluoro-benzyl)-acetamide,
Maybridge3_000621,
AC1ME35V,
SCHEMBL2266096,
ZINC92061,
DTMOJQIOQZYCJV-UHFFFAOYSA-N,
HMS1432M05,
AKOS009096559,
CCG-236326,
MCULE-7110732374,
NE43581,
IDI1_012008,
2-Cyano-N-(2,4-difluorobenzyl)acetamide,
BRD-K99510363-001-01-4,
ZINC00092061,
CID2799809,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.184g/mol |
| Monoisotopic Mass | 210.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number