Ethyl 2-Chloro-5-fluoropyrimidine-4-carboxylate - CAS 1246632-85-8
Catalog: |
BB005967 |
Product Name: |
Ethyl 2-Chloro-5-fluoropyrimidine-4-carboxylate |
CAS: |
1246632-85-8 |
Synonyms: |
2-chloro-5-fluoro-4-pyrimidinecarboxylic acid ethyl ester; ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate |
IUPAC Name: | ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate |
Description: | Ethyl 2-Chloro-5-fluoropyrimidine-4-carboxylate (CAS# 1246632-85-8 ) is a useful research chemical. |
Molecular Weight: | 204.59 |
Molecular Formula: | C7H6ClFN2O2 |
Canonical SMILES: | CCOC(=O)C1=NC(=NC=C1F)Cl |
InChI: | InChI=1S/C7H6ClFN2O2/c1-2-13-6(12)5-4(9)3-10-7(8)11-5/h3H,2H2,1H3 |
InChI Key: | YGHPIVLSUXRHNF-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
LogP: | 1.44580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020048242-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180809 |
US-11053235-B2 | Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases | 20180809 |
WO-2020001448-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
AU-2019296117-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases | 20180626 |
CA-3099605-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0101833 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0101833 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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