Methyl 5-(2-Thiazolyl)isoxazole-3-carboxylate - CAS 1375064-47-3
Catalog: |
BB008588 |
Product Name: |
Methyl 5-(2-Thiazolyl)isoxazole-3-carboxylate |
CAS: |
1375064-47-3 |
Synonyms: |
5-(2-thiazolyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-(2-Thiazolyl)isoxazole-3-carboxylate (CAS# 1375064-47-3) is a useful research chemical. |
Molecular Weight: | 210.21 |
Molecular Formula: | C8H6N2O3S |
Canonical SMILES: | COC(=O)C1=NOC(=C1)C2=NC=CS2 |
InChI: | InChI=1S/C8H6N2O3S/c1-12-8(11)5-4-6(13-10-5)7-9-2-3-14-7/h2-4H,1H3 |
InChI Key: | OJDXFHLYVJEQMK-UHFFFAOYSA-N |
LogP: | 1.58470 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.00991323 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.00991323 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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