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115933-16-9 | 2-Thiophenecarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-
CAS No: 115933-16-9 Catalog No: AG000H52 MDL No:
Product Description
Catalog Number:
AG000H52
Chemical Name:
2-Thiophenecarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-
CAS Number:
115933-16-9
Molecular Formula:
C12H7F3O2S
Molecular Weight:
272.2430
IUPAC Name:
5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H7F3O2S/c13-12(14,15)8-3-1-7(2-4-8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)
InChI Key:
AJNSLVSYANTKPB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.241g/mol
Monoisotopic Mass:
272.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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