Ethyl 2-[(2-methylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate - CAS 937598-00-0
Catalog: |
BB048896 |
Product Name: |
Ethyl 2-[(2-methylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
CAS: |
937598-00-0 |
Synonyms: |
Ethyl 2-(o-tolylamino)-4-(trifluoromethyl)thiazole-5-carboxylate; 5-Thiazolecarboxylic acid, 2-[(2-methylphenyl)amino]-4-(trifluoromethyl)-, ethyl ester |
IUPAC Name: | ethyl 2-(2-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-[(2-methylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS# 937598-00-0 ) is a useful research chemical. |
Molecular Weight: | 330.33 |
Molecular Formula: | C14H13F3N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)NC2=CC=CC=C2C)C(F)(F)F |
InChI: | InChI=1S/C14H13F3N2O2S/c1-3-21-12(20)10-11(14(15,16)17)19-13(22-10)18-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,18,19) |
InChI Key: | FPQOGJFFBGMJAN-UHFFFAOYSA-N |
Boiling Point: | 411.1±55.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.06498332 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.06498332 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 79.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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