Home Other Building Blocks 2-fluoro-6-(phenylsulfanyl)benzoic acid

2-fluoro-6-(phenylsulfanyl)benzoic acid

CAS No.:
1504698-57-0
Catalog Number:
AG01A6AI
Molecular Formula:
C13H9FO2S
Molecular Weight:
248.2728
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Product Description
Catalog Number:
AG01A6AI
Chemical Name:
2-fluoro-6-(phenylsulfanyl)benzoic acid
CAS Number:
1504698-57-0
Molecular Formula:
C13H9FO2S
Molecular Weight:
248.2728
MDL Number:
MFCD22361655
IUPAC Name:
2-fluoro-6-phenylsulfanylbenzoic acid
InChI:
InChI=1S/C13H9FO2S/c14-10-7-4-8-11(12(10)13(15)16)17-9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChI Key:
MFNXNIVITGJDJJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cccc1F)Sc1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.271g/mol
Monoisotopic Mass:
248.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties