Home Other Building Blocks 3-fluoro-2-(methylsulfanyl)benzoic acid

3-fluoro-2-(methylsulfanyl)benzoic acid

CAS No.:
147460-53-5
Catalog Number:
AG01BHRE
Molecular Formula:
C8H7FO2S
Molecular Weight:
186.2034
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Product Description
Catalog Number:
AG01BHRE
Chemical Name:
3-fluoro-2-(methylsulfanyl)benzoic acid
CAS Number:
147460-53-5
Molecular Formula:
C8H7FO2S
Molecular Weight:
186.2034
MDL Number:
MFCD16836264
IUPAC Name:
3-fluoro-2-methylsulfanylbenzoic acid
InChI:
InChI=1S/C8H7FO2S/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key:
FFXUQUSINFRJDD-UHFFFAOYSA-N
SMILES:
CSc1c(F)cccc1C(=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:
1  
Isotope Atom Count:
0
Molecular Weight:
186.2g/mol
Monoisotopic Mass:
186.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties