| CAS Number | 261783-90-8 |
| Catalog Number | AG002S3L(AGN-PC-0WA9SF) |
| Chemical Name | 4-[(3-Chlorophenyl)carbonyl]benzonitrile |
| IUPAC Name | 4-(3-chlorobenzoyl)benzonitrile |
| InChI | InChI=1S/C14H8ClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8H |
| InChI Key | ZBPCMVUHBDEGPG-UHFFFAOYSA-N |
| MDL Number | MFCD22205832 |
| Molecular Formula | C14H8ClNO |
| Molecular Weight | 241.6724 |
| SMILES | N#Cc1ccc(cc1)C(=O)c1cccc(c1)Cl |
| Synonyms | 4-[(3-Chlorophenyl)carbonyl]benzonitrile,
261783-90-8,
4-(3-chlorobenzoyl)benzonitrile,
ACMC-209gp8,
CTK8B1332,
DTXSID60444784,
ANW-25914,
Benzonitrile, 4-(3-chlorobenzoyl)-,
MFCD22205832,
ZINC34458230,
TC-114659,
CID10776507,
B-8913,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.674g/mol |
| Monoisotopic Mass | 241.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number