| CAS Number | 886531-63-1 |
| Catalog Number | AG0048AF(AGN-PC-0WOWWR) |
| Chemical Name | 5-(Chloromethyl)-2-phenylpyrimidine |
| IUPAC Name | 5-(chloromethyl)-2-phenylpyrimidine |
| InChI | InChI=1S/C11H9ClN2/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2 |
| InChI Key | VJINEZQXTOUKNJ-UHFFFAOYSA-N |
| MDL Number | MFCD09879948 |
| Molecular Formula | C11H9ClN2 |
| Molecular Weight | 204.6556 |
| SMILES | ClCC1=CN=C(C2=CC=CC=C2)N=C1 |
| Synonyms | 5-(Chloromethyl)-2-phenylpyrimidine,
886531-63-1,
SCHEMBL935199,
CTK5G1153,
DTXSID50640430,
VJINEZQXTOUKNJ-UHFFFAOYSA-N,
MFCD09879948,
SBB093381,
ZINC12370785,
AB54468,
[5-(Chloromethyl)pyrimidin-2-yl]benzene,
DB-078102,
FT-0718963,
I14-86214,
Pyrimidine, 5-(chloromethyl)-2-phenyl- (9CI),
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.657g/mol |
| Monoisotopic Mass | 204.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number