| CAS Number | 885459-73-4 |
| Catalog Number | AG00GUCA |
| Chemical Name | N-(3-Formylphenyl)-4-methoxybenzamide |
| IUPAC Name | N-(3-formylphenyl)-4-methoxybenzamide |
| InChI | InChI=1S/C15H13NO3/c1-19-14-7-5-12(6-8-14)15(18)16-13-4-2-3-11(9-13)10-17/h2-10H,1H3,(H,16,18) |
| InChI Key | SOAQJTRPLDSZKK-UHFFFAOYSA-N |
| MDL Number | MFCD06654953 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | O=C(NC1=CC=CC(C=O)=C1)C2=CC=C(OC)C=C2 |
| Synonyms | N-(3-formylphenyl)-4-methoxybenzamide,
885459-73-4,
AC1MQQW7,
AC1Q49XH,
CTK7A1990,
ZINC3886972,
AKOS009031331,
MCULE-7679883526,
NE28127,
EN300-07508,
J-523007,
ZINC03886972,
CID3506102,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number