| CAS Number | 1206249-62-8 |
| Catalog Number | AG01FT7K(AGN-PC-3H60B3) |
| Chemical Name | Methyl 2,5-dichloropyrimidine-4-carboxylate |
| IUPAC Name | methyl 2,5-dichloropyrimidine-4-carboxylate |
| InChI | InChI=1S/C6H4Cl2N2O2/c1-12-5(11)4-3(7)2-9-6(8)10-4/h2H,1H3 |
| InChI Key | MUJBXSCSNLVZNS-UHFFFAOYSA-N |
| MDL Number | MFCD14582105 |
| Molecular Formula | C6H4Cl2N2O2 |
| Molecular Weight | 207.0142 |
| SMILES | O=C(C1=NC(Cl)=NC=C1Cl)OC |
| Synonyms | 1206249-62-8,
methyl 2,5-dichloropyrimidine-4-carboxylate,
Methyl 2,4-dichloropyrimidine-6-carboxylate,
6299-85-0,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.964983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.01g/mol |
| Monoisotopic Mass | 205.964983g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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