| CAS Number | 1261494-35-2 |
| Catalog Number | AG01DYMG |
| Chemical Name | 4-Chloropyrimidine-5-carbonyl chloride |
| IUPAC Name | 4-chloropyrimidine-5-carbonyl chloride |
| InChI | InChI=1S/C5H2Cl2N2O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H |
| InChI Key | WSJZRPQLFKDILG-UHFFFAOYSA-N |
| MDL Number | MFCD18415913 |
| Molecular Formula | C5H2Cl2N2O |
| Molecular Weight | 176.9882 |
| SMILES | ClC1=NC=NC=C1C(=O)Cl |
| Synonyms | 4-chloropyrimidine-5-carbonyl chloride,
1261494-35-2,
4-chloro-pyrimidine-5-carboxylic acid chloride,
SCHEMBL4826147,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.984g/mol |
| Monoisotopic Mass | 175.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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