Ethyl 4-(3-Nitrophenyl)thiazole-2-carboxylate - CAS 53101-05-6
Catalog: |
BB028055 |
Product Name: |
Ethyl 4-(3-Nitrophenyl)thiazole-2-carboxylate |
CAS: |
53101-05-6 |
Synonyms: |
4-(3-nitrophenyl)-2-thiazolecarboxylic acid ethyl ester; ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate |
IUPAC Name: | ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate |
Description: | Ethyl 4-(3-Nitrophenyl)thiazole-2-carboxylate (CAS# 53101-05-6) is a useful research chemical. |
Molecular Weight: | 278.28 |
Molecular Formula: | C12H10N2O4S |
Canonical SMILES: | CCOC(=O)C1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H10N2O4S/c1-2-18-12(15)11-13-10(7-19-11)8-4-3-5-9(6-8)14(16)17/h3-7H,2H2,1H3 |
InChI Key: | ORZHIBZDQVVYKZ-UHFFFAOYSA-N |
LogP: | 3.41820 |
Publication Number | Title | Priority Date |
WO-2020168143-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
WO-2020168148-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
TW-202045498-A | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
US-2021261535-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
US-2003144308-A1 | Fructose 1,6-bisphosphatase inhibitors | 20010924 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.03612798 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.03612798 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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