Home Other Building Blocks 2-[(trifluoromethyl)sulfanyl]propanoic acid

2-[(trifluoromethyl)sulfanyl]propanoic acid

CAS No.:
63471-78-3
Catalog Number:
AG019MTZ
Molecular Formula:
C4H5F3O2S
Molecular Weight:
174.1415
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Product Description
Catalog Number:
AG019MTZ
Chemical Name:
2-[(trifluoromethyl)sulfanyl]propanoic acid
CAS Number:
63471-78-3
Molecular Formula:
C4H5F3O2S
Molecular Weight:
174.1415
IUPAC Name:
2-(trifluoromethylsulfanyl)propanoic acid
InChI:
InChI=1S/C4H5F3O2S/c1-2(3(8)9)10-4(5,6)7/h2H,1H3,(H,8,9)
InChI Key:
ZGFPYJPXOSZWPH-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)SC(F)(F)F
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.996g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.137g/mol
Monoisotopic Mass:
173.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties