| CAS Number | 35776-95-5 |
| Catalog Number | AG00CHCJ(AGN-PC-0JWHOT) |
| Chemical Name | 4-(4-Methylbenzoyl)benzonitrile |
| IUPAC Name | 4-(4-methylbenzoyl)benzonitrile |
| InChI | InChI=1S/C15H11NO/c1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14/h2-9H,1H3 |
| InChI Key | TZLPNFGBHSHCDP-UHFFFAOYSA-N |
| MDL Number | MFCD04113854 |
| Molecular Formula | C15H11NO |
| Molecular Weight | 221.2539 |
| SMILES | N#Cc1ccc(cc1)C(=O)c1ccc(cc1)C |
| Synonyms | 4-(4-methylbenzoyl)benzonitrile,
35776-95-5,
AB-131/42301088,
AC1LG7VD,
SCHEMBL507820,
CTK7C7610,
TZLPNFGBHSHCDP-UHFFFAOYSA-N,
ZINC330259,
4-(4-Methyl-benzoyl)-benzonitrile,
SBB096146,
4-[(4-methylphenyl)carbonyl]benzenecarbonitrile,
K-8066,
4,4-Dimethylbenzophenone,
CID816842,
ZINC00330259,
611-97-2,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.259g/mol |
| Monoisotopic Mass | 221.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number