| CAS Number | 3842-28-2 |
| Catalog Number | AG00CIYS(AGN-PC-0WBROP) |
| Chemical Name | 4-Chloro-2-(chloromethyl)pyrimidine |
| IUPAC Name | 4-chloro-2-(chloromethyl)pyrimidine |
| InChI | InChI=1S/C5H4Cl2N2/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2 |
| InChI Key | STLWHIYGDWYWRH-UHFFFAOYSA-N |
| MDL Number | MFCD10697146 |
| Molecular Formula | C5H4Cl2N2 |
| Molecular Weight | 163.0047 |
| SMILES | c1cnc(nc1Cl)CCl |
| Synonyms | 4-CHLORO-2-(CHLOROMETHYL)PYRIMIDINE,
3842-28-2,
DTXSID10697728,
MFCD10697146,
ZINC71617281,
AKOS006305560,
4-chloranyl-2-(chloromethyl)pyrimidine,
AB59104,
RL03466,
Pyrimidine, 4-chloro-2-(chloromethyl)-,
SC-52338,
AB0036219,
AJ-118283,
4CH-005470,
FT-0736640,
ST24043537,
Y3254,
A824144,
J-514898,
C5H4Cl2N2,
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| Complexity | 89 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.001g/mol |
| Monoisotopic Mass | 161.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number