| CAS Number | 112170-34-0 |
| Catalog Number | AG0083AP(AGN-PC-0N3184) |
| Chemical Name | 2-Benzoylpyrimidine |
| IUPAC Name | phenyl(pyrimidin-2-yl)methanone |
| InChI | InChI=1S/C11H8N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h1-8H |
| InChI Key | KFGGAFBXJXIXCC-UHFFFAOYSA-N |
| MDL Number | MFCD12153432 |
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.1940 |
| SMILES | C(C1=CC=CC=C1)(=O)C1=NC=CC=N1 |
| Synonyms | 2-benzoylpyrimidine,
Methanone, phenyl-2-pyrimidinyl-,
112170-34-0,
benzoyl pyrimidine,
Phenylpyrimidylketon,
ACMC-20mfp5,
SCHEMBL2890937,
CTK0G1574,
DTXSID70438513,
KFGGAFBXJXIXCC-UHFFFAOYSA-N,
ZINC37464327,
AKOS010013741,
NE60803,
Phenyl-pyrimidin-2-yl-methanone,
CID10352351,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.198g/mol |
| Monoisotopic Mass | 184.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number