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208108-54-7 | 2-Thiophenecarboxylic acid, 4-(4-chlorophenyl)-5-(trifluoromethyl)-, ethyl ester
CAS No: 208108-54-7 Catalog No: AG002JHG MDL No:
Product Description
Catalog Number:
AG002JHG
Chemical Name:
2-Thiophenecarboxylic acid, 4-(4-chlorophenyl)-5-(trifluoromethyl)-, ethyl ester
CAS Number:
208108-54-7
Molecular Formula:
C14H10ClF3O2S
Molecular Weight:
334.7412
IUPAC Name:
ethyl 4-(4-chlorophenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
InChI:
InChI=1S/C14H10ClF3O2S/c1-2-20-13(19)11-7-10(12(21-11)14(16,17)18)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3
InChI Key:
MQYIUYQVVLOGES-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(c(c1)c1ccc(cc1)Cl)C(F)(F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.004g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.737g/mol
Monoisotopic Mass:
334.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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