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

4-fluoro-3-(methylsulfanyl)benzoic acid

CAS No.:
169310-01-4
Catalog Number:
AG01A3QM
Molecular Formula:
C8H7FO2S
Molecular Weight:
186.2034
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A3QM
Chemical Name:
4-fluoro-3-(methylsulfanyl)benzoic acid
CAS Number:
169310-01-4
Molecular Formula:
C8H7FO2S
Molecular Weight:
186.2034
MDL Number:
MFCD20657082
IUPAC Name:
4-fluoro-3-methylsulfanylbenzoic acid
InChI:
InChI=1S/C8H7FO2S/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key:
LTEUSKDAVFRTPG-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1F)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:
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