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

3-fluoro-2-(phenylsulfanyl)benzoic acid

CAS No.:
1283530-86-8
Catalog Number:
AG01A5PM
Molecular Formula:
C13H9FO2S
Molecular Weight:
248.2728
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Product Description
Catalog Number:
AG01A5PM
Chemical Name:
3-fluoro-2-(phenylsulfanyl)benzoic acid
CAS Number:
1283530-86-8
Molecular Formula:
C13H9FO2S
Molecular Weight:
248.2728
MDL Number:
MFCD18005180
IUPAC Name:
3-fluoro-2-phenylsulfanylbenzoic acid
InChI:
InChI=1S/C13H9FO2S/c14-11-8-4-7-10(13(15)16)12(11)17-9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChI Key:
JIZJNRZGBLOIBH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Sc1ccccc1)F
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