| CAS Number | 1266238-63-4 |
| Catalog Number | AG000T0S(AGN-PC-0WNGBZ) |
| Chemical Name | ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate |
| IUPAC Name | ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate |
| InChI | InChI=1S/C7H5Cl2FN2O2/c1-2-14-6(13)4-3(10)5(8)12-7(9)11-4/h2H2,1H3 |
| InChI Key | ODLKLHFBCYZMKF-UHFFFAOYSA-N |
| MDL Number | MFCD29065911 |
| Molecular Formula | C7H5Cl2FN2O2 |
| Molecular Weight | 239.0312 |
| SMILES | CCOC(=O)C1=NC(Cl)=NC(Cl)=C1F |
| Synonyms | Ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate,
1266238-63-4,
SCHEMBL9943790,
KS-000008TP,
MFCD29065911,
ZINC218638945,
AS-53571,
SY039417,
CS-0049517,
MFCD29065911 (95%),
4-Pyrimidinecarboxylic acid, 2,6-dichloro-5-fluoro-, ethyl ester,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.027g/mol |
| Monoisotopic Mass | 237.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number