| CAS Number | 85386-15-8 |
| Catalog Number | AG004OXE(AGN-PC-00035D) |
| Chemical Name | 2-Phenylpyrimidine-5-carbonitrile |
| IUPAC Name | 2-phenylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C11H7N3/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H |
| InChI Key | OZDRGIMFRMFITG-UHFFFAOYSA-N |
| MDL Number | MFCD06797256 |
| Molecular Formula | C11H7N3 |
| Molecular Weight | 181.1934 |
| SMILES | N#CC1=CN=C(C2=CC=CC=C2)N=C1 |
| Synonyms | 2-Phenylpyrimidine-5-carbonitrile,
85386-15-8,
2-Phenyl-pyrimidine-5-carbonitrile,
2-phenyl-5-cyanopyrimidine,
5-Cyano-2-phenylpyrimidine,
AC1Q4R4R,
SCHEMBL2311763,
CTK5F4825,
DTXSID20554090,
OZDRGIMFRMFITG-UHFFFAOYSA-N,
ZINC34204365,
AKOS006238550,
NE18412,
HC210474,
EN300-72493,
2-phenyl-pyrimidine-5-carbonitrile, AldrichCPR,
F2167-3137,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.198g/mol |
| Monoisotopic Mass | 181.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number