Home Other Building Blocks 3-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID

3-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID

CAS No.:
239080-04-7
Catalog Number:
AG003IBA
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
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Product Description
Catalog Number:
AG003IBA
Chemical Name:
3-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID
CAS Number:
239080-04-7
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD00236350
IUPAC Name:
2-[3-(trifluoromethylsulfanyl)phenyl]acetic acid
InChI:
InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
FSTITWGTGMPLTF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)SC(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:
3.4  
Properties