Ethyl 3-(Chloromethyl)-1,2,4-oxadiazole-5-carboxylate - CAS 25977-19-9
Catalog: |
BB019087 |
Product Name: |
Ethyl 3-(Chloromethyl)-1,2,4-oxadiazole-5-carboxylate |
CAS: |
25977-19-9 |
Synonyms: |
3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylic acid ethyl ester; ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate |
IUPAC Name: | ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate |
Description: | Ethyl 3-(Chloromethyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 25977-19-9) is a useful research chemical. |
Molecular Weight: | 190.58 |
Molecular Formula: | C6H7ClN2O3 |
Canonical SMILES: | CCOC(=O)C1=NC(=NO1)CCl |
InChI: | InChI=1S/C6H7ClN2O3/c1-2-11-6(10)5-8-4(3-7)9-12-5/h2-3H2,1H3 |
InChI Key: | JIKCEFWHWIEUHQ-UHFFFAOYSA-N |
Boiling Point: | 276.1 °C at 760 mmHg |
Density: | 1.353 g/cm3 |
MDL: | MFCD09749852 |
LogP: | 0.98510 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2013224313-A1 | Use of 1H-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors | 20120221 |
AU-2013224313-B2 | Use of 1H-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors | 20120221 |
CA-2860466-A1 | Use of 1h-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors | 20120221 |
CA-2860466-C | Use of 1h-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors | 20120221 |
DK-2817301-T3 | Use of 1H-indazole-3-carboxamide compounds as glycogen synthase kinase-3 beta inhibitors | 20120221 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.0145198 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.0145198 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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