| CAS Number | 796095-89-1 |
| Catalog Number | AG00G8CM(AGN-PC-07NGAN) |
| Chemical Name | 4-Benzyl-2,6-dichloropyrimidine |
| IUPAC Name | 4-benzyl-2,6-dichloropyrimidine |
| InChI | InChI=1S/C11H8Cl2N2/c12-10-7-9(14-11(13)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
| InChI Key | LIGZTXSHXRNYKM-UHFFFAOYSA-N |
| MDL Number | MFCD11870615 |
| Molecular Formula | C11H8Cl2N2 |
| Molecular Weight | 239.1006 |
| SMILES | Clc1cc(Cc2ccccc2)nc(n1)Cl |
| Synonyms | 4-benzyl-2,6-dichloropyrimidine,
796095-89-1,
SCHEMBL3404366,
DTXSID80673135,
LIGZTXSHXRNYKM-UHFFFAOYSA-N,
4-benzyl-2,6-dichloro-pyrimidine,
6-Benzyl-2,4-dichloro-pyrimidine,
MFCD11870615,
ZINC40449822,
AKOS022177417,
QC-9247,
AM806880,
BP-11611,
OR323232,
AJ-103191,
DB-010247,
4CH-000553,
FT-0703657,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.099g/mol |
| Monoisotopic Mass | 238.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number