Diethyl 2-Chloro-4,5-pyrimidinedicarboxylate - CAS 90794-84-6
Catalog: |
BB039952 |
Product Name: |
Diethyl 2-Chloro-4,5-pyrimidinedicarboxylate |
CAS: |
90794-84-6 |
Synonyms: |
2-chloropyrimidine-4,5-dicarboxylic acid diethyl ester; diethyl 2-chloropyrimidine-4,5-dicarboxylate |
IUPAC Name: | diethyl 2-chloropyrimidine-4,5-dicarboxylate |
Description: | Diethyl 2-Chloro-4,5-pyrimidinedicarboxylate (CAS# 90794-84-6) is a useful research chemical. |
Molecular Weight: | 258.66 |
Molecular Formula: | C10H11ClN2O4 |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1C(=O)OCC)Cl |
InChI: | InChI=1S/C10H11ClN2O4/c1-3-16-8(14)6-5-12-10(11)13-7(6)9(15)17-4-2/h5H,3-4H2,1-2H3 |
InChI Key: | VHQAZEHEYSOONS-UHFFFAOYSA-N |
MDL: | MFCD16659907 |
LogP: | 1.48340 |
Publication Number | Title | Priority Date |
WO-9838171-A1 | Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions | 19970227 |
US-5852028-A | Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions | 19951218 |
CA-2230896-A1 | Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions | 19950901 |
JP-H11512390-A | Pyrimidine carboxylate and related compounds and methods for treating inflammatory conditions | 19950901 |
US-5935966-A | Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions | 19950901 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.0407345 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.0407345 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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