| CAS Number | 749219-35-0 |
| Catalog Number | AG00ICKS |
| Chemical Name | N-(3-Formyl-phenyl)-4-methyl-benzamide |
| IUPAC Name | N-(3-formylphenyl)-4-methylbenzamide |
| InChI | InChI=1S/C15H13NO2/c1-11-5-7-13(8-6-11)15(18)16-14-4-2-3-12(9-14)10-17/h2-10H,1H3,(H,16,18) |
| InChI Key | AIPICUWLSCQEHH-UHFFFAOYSA-N |
| MDL Number | MFCD03658056 |
| Molecular Formula | C15H13NO2 |
| Molecular Weight | 239.2692 |
| SMILES | CC1=CC=C(C(NC2=CC(C=O)=CC=C2)=O)C=C1 |
| Synonyms | N-(3-formylphenyl)-4-methylbenzamide,
N-(3-Formyl-phenyl)-4-methyl-benzamide,
749219-35-0,
AC1Q2JUY,
AC1M608S,
SCHEMBL15652600,
CTK7H9873,
ZINC3220818,
MFCD03658056,
AKOS008028318,
MCULE-6401084370,
NE51839,
EN300-04078,
ZINC03220818,
CID2339361,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.274g/mol |
| Monoisotopic Mass | 239.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number