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128009-32-5 | 2-Thiophenecarboxylic acid, 5-(trifluoromethyl)-
CAS No: 128009-32-5 Catalog No: AG000XOZ MDL No:MFCD04421350
Product Description
Catalog Number:
AG000XOZ
Chemical Name:
2-Thiophenecarboxylic acid, 5-(trifluoromethyl)-
CAS Number:
128009-32-5
Molecular Formula:
C6H3F3O2S
Molecular Weight:
196.1470
MDL Number:
MFCD04421350
IUPAC Name:
5-(trifluoromethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C6H3F3O2S/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11)
InChI Key:
MTPNYGZXGMOELX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)C(F)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.143g/mol
Monoisotopic Mass:
195.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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