| CAS Number | 1261737-05-6 |
| Catalog Number | AG00HJ2Y(AGN-PC-0WD8DL) |
| Chemical Name | 4-Chloro-6-(difluoromethyl)pyrimidine |
| IUPAC Name | 4-chloro-6-(difluoromethyl)pyrimidine |
| InChI | InChI=1S/C5H3ClF2N2/c6-4-1-3(5(7)8)9-2-10-4/h1-2,5H |
| InChI Key | BCHVKKJYBOONJO-UHFFFAOYSA-N |
| MDL Number | MFCD18415625 |
| Molecular Formula | C5H3ClF2N2 |
| Molecular Weight | 164.5405 |
| SMILES | ClC1=NC=NC(=C1)C(F)F |
| Synonyms | 4-CHLORO-6-(DIFLUOROMETHYL)PYRIMIDINE,
1261737-05-6,
SCHEMBL1661227,
BCHVKKJYBOONJO-UHFFFAOYSA-N,
MFCD18415625,
ZINC95803704,
AKOS026714600,
AS-41803,
Pyrimidine, 4-chloro-6-(difluoromethyl)-,
CS-0055755,
F1967-3902,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.54g/mol |
| Monoisotopic Mass | 163.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number