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Home > Pyridines > 160777-44-6
160777-44-6 | Pyridine, 3-[3-(methylsulfonyl)phenyl]-, hydrochloride (1:1)
CAS No: 160777-44-6 Catalog No: AG001VBV MDL No:
Product Description
Catalog Number:
AG001VBV
Chemical Name:
Pyridine, 3-[3-(methylsulfonyl)phenyl]-, hydrochloride (1:1)
CAS Number:
160777-44-6
Molecular Formula:
C12H12ClNO2S
Molecular Weight:
269.7472
IUPAC Name:
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
InChI:
InChI=1S/C12H11NO2S.ClH/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11;/h2-9H,1H3;1H
InChI Key:
SULWTVZJDFBBFF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cccc(c1)c1cccnc1.Cl
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.743g/mol
Monoisotopic Mass:
269.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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