Methyl 2-Chloro-5-fluoropyrimidine-4-carboxylate - CAS 1404364-32-4
Catalog: |
BB009068 |
Product Name: |
Methyl 2-Chloro-5-fluoropyrimidine-4-carboxylate |
CAS: |
1404364-32-4 |
Synonyms: |
2-chloro-5-fluoro-4-pyrimidinecarboxylic acid methyl ester; methyl 2-chloro-5-fluoropyrimidine-4-carboxylate |
IUPAC Name: | methyl 2-chloro-5-fluoropyrimidine-4-carboxylate |
Description: | Methyl 2-Chloro-5-fluoropyrimidine-4-carboxylate (CAS# 1404364-32-4 ) is a useful research chemical. |
Molecular Weight: | 190.56 |
Molecular Formula: | C6H4ClFN2O2 |
Canonical SMILES: | COC(=O)C1=NC(=NC=C1F)Cl |
InChI: | InChI=1S/C6H4ClFN2O2/c1-12-5(11)4-3(8)2-9-6(7)10-4/h2H,1H3 |
InChI Key: | JHEBNUBUTDIAFI-UHFFFAOYSA-N |
LogP: | 1.05570 |
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 |
EP-2968303-A1 | Octahydrocyclopentapyrroles, their preparation and use | 20130314 |
EP-2968303-B1 | Octahydrocyclopentapyrroles, their preparation and use | 20130314 |
ES-2700541-T3 | Octahidrociclopentapirroles, its preparation and use | 20130314 |
US-10421720-B2 | Octahydrocyclopentapyrroles, their preparation and use | 20130314 |
US-2016024007-A1 | Octahydrocyclopentapyrroles, their preparation and use | 20130314 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9945332 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9945332 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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