Home Other Building Blocks 3-fluoro-4-(sulfanylmethyl)benzoic acid

3-fluoro-4-(sulfanylmethyl)benzoic acid

CAS No.:
112682-72-1
Catalog Number:
AG019S18
Molecular Formula:
C8H7FO2S
Molecular Weight:
186.2034
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Product Description
Catalog Number:
AG019S18
Chemical Name:
3-fluoro-4-(sulfanylmethyl)benzoic acid
CAS Number:
112682-72-1
Molecular Formula:
C8H7FO2S
Molecular Weight:
186.2034
MDL Number:
MFCD11179694
IUPAC Name:
3-fluoro-4-(sulfanylmethyl)benzoic acid
InChI:
InChI=1S/C8H7FO2S/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-3,12H,4H2,(H,10,11)
InChI Key:
SXPMGUOIMIQSEV-UHFFFAOYSA-N
SMILES:
SCc1ccc(cc1F)C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.2g/mol
Monoisotopic Mass:
186.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties