Home Other Building Blocks 2-[(2,2,2-trifluoroethyl)sulfanyl]benzoic acid

2-[(2,2,2-trifluoroethyl)sulfanyl]benzoic acid

CAS No.:
162965-55-1
Catalog Number:
AG019UJW
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
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Product Description
Catalog Number:
AG019UJW
Chemical Name:
2-[(2,2,2-trifluoroethyl)sulfanyl]benzoic acid
CAS Number:
162965-55-1
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD09735608
IUPAC Name:
2-(2,2,2-trifluoroethylsulfanyl)benzoic acid
InChI:
InChI=1S/C9H7F3O2S/c10-9(11,12)5-15-7-4-2-1-3-6(7)8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
OCTLXWNDUQYRCZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SCC(F)(F)F
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.208g/mol
Monoisotopic Mass:
236.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties