| CAS Number | 60122-80-7 |
| Catalog Number | AG00EIL8(AGN-PC-0KKKNO) |
| Chemical Name | 4-Chloro-5-phenylpyrimidine |
| IUPAC Name | 4-chloro-5-phenylpyrimidine |
| InChI | InChI=1S/C10H7ClN2/c11-10-9(6-12-7-13-10)8-4-2-1-3-5-8/h1-7H |
| InChI Key | RKDLCPYEVZVXGD-UHFFFAOYSA-N |
| MDL Number | MFCD00234602 |
| Molecular Formula | C10H7ClN2 |
| Molecular Weight | 190.6290 |
| SMILES | ClC1=NC=NC=C1C2=CC=CC=C2 |
| Synonyms | 4-chloro-5-phenylpyrimidine,
60122-80-7,
AC1MBS23,
ZINC3852495,
4-CHLORO-5-PHENYL-PYRIMIDINE,
AKOS002664586,
MCULE-5757911590,
ZINC03852495,
CID2755772,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.63g/mol |
| Monoisotopic Mass | 190.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number