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87033-71-4

87033-71-4 | Benzoic acid, 2-[(2-fluorophenyl)thio]-

CAS No: 87033-71-4 Catalog No: AG004JX6 MDL No:

Product Description

Catalog Number:
AG004JX6
Chemical Name:
Benzoic acid, 2-[(2-fluorophenyl)thio]-
CAS Number:
87033-71-4
Molecular Formula:
C13H9FO2S
Molecular Weight:
248.2728
IUPAC Name:
2-(2-fluorophenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C13H9FO2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,(H,15,16)
InChI Key:
NVZKHYKVAZULAG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Sc1ccccc1F

Properties

Complexity:
272  
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:
3.8  

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