| CAS Number | 879183-68-3 |
| Catalog Number | AG019MV2 |
| Chemical Name | 3-cyano-N-[(furan-2-yl)methyl]benzamide |
| IUPAC Name | 3-cyano-N-(furan-2-ylmethyl)benzamide |
| InChI | InChI=1S/C13H10N2O2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h1-7H,9H2,(H,15,16) |
| InChI Key | GUSNUBZVXMNRLD-UHFFFAOYSA-N |
| MDL Number | MFCD08495254 |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.2307 |
| SMILES | O=C(C1=CC(C#N)=CC=C1)NCC1OC=CC=1 |
| Synonyms | 3-cyano-N-(furan-2-ylmethyl)benzamide,
3-cyano-N-(2-furylmethyl)benzamide,
879183-68-3,
EN300-37382,
AC1Q5OT6,
CTK7C8409,
ZINC8180815,
STL189598,
AKOS000178100,
MCULE-3361103826,
NE36513,
3-cyano-N-[(furan-2-yl)methyl]benzamide,
Z31408637,
ZINC08180815,
CID9314250,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.235g/mol |
| Monoisotopic Mass | 226.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number