Methyl 4-(3-Nitrophenyl)thiazole-2-carboxylate - CAS 885279-68-5
Catalog: |
BB038950 |
Product Name: |
Methyl 4-(3-Nitrophenyl)thiazole-2-carboxylate |
CAS: |
885279-68-5 |
Synonyms: |
4-(3-nitrophenyl)-2-thiazolecarboxylic acid methyl ester; methyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate |
IUPAC Name: | methyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate |
Description: | Methyl 4-(3-Nitrophenyl)thiazole-2-carboxylate (CAS# 885279-68-5) is a useful research chemical. |
Molecular Weight: | 264.26 |
Molecular Formula: | C11H8N2O4S |
Canonical SMILES: | COC(=O)C1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H8N2O4S/c1-17-11(14)10-12-9(6-18-10)7-3-2-4-8(5-7)13(15)16/h2-6H,1H3 |
InChI Key: | PONINADZEJJIPE-UHFFFAOYSA-N |
Boiling Point: | 435.6 °C at 760 mmHg |
Density: | 1.411 g/cm3 |
LogP: | 3.02810 |
Publication Number | Title | Priority Date |
WO-2020168148-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.02047791 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.02047791 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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