Home Halogens 2-[(5-bromopyridin-2-yl)sulfanyl]benzoic acid

2-[(5-bromopyridin-2-yl)sulfanyl]benzoic acid

CAS No.:
1016767-93-3
Catalog Number:
AG019VB6
Molecular Formula:
C12H8BrNO2S
Molecular Weight:
310.1664
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Product Description
Catalog Number:
AG019VB6
Chemical Name:
2-[(5-bromopyridin-2-yl)sulfanyl]benzoic acid
CAS Number:
1016767-93-3
Molecular Formula:
C12H8BrNO2S
Molecular Weight:
310.1664
MDL Number:
MFCD09933600
IUPAC Name:
2-(5-bromopyridin-2-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C12H8BrNO2S/c13-8-5-6-11(14-7-8)17-10-4-2-1-3-9(10)12(15)16/h1-7H,(H,15,16)
InChI Key:
FWHYZNJVVSEWIZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)Sc1ccccc1C(=O)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.946g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.165g/mol
Monoisotopic Mass:
308.946g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties