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244126-64-5

244126-64-5 | 5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid

CAS No: 244126-64-5 Catalog No: AG0038UT MDL No:MFCD03012933

Product Description

Catalog Number:
AG0038UT
Chemical Name:
5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid
CAS Number:
244126-64-5
Molecular Formula:
C10H5F3O2S
Molecular Weight:
246.2057
MDL Number:
MFCD03012933
IUPAC Name:
5-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H5F3O2S/c11-10(12,13)6-1-2-7-5(3-6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
InChI Key:
ROIKYRUNAMGSHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)ccc(c2)C(F)(F)F

Properties

Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.996g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.203g/mol
Monoisotopic Mass:
245.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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