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170449-34-0 | 2-(Pyridin-2-ylsulfonyl)acetonitrile
CAS No: 170449-34-0 Catalog No: AG003HX5 MDL No:MFCD00041443
Product Description
Catalog Number:
AG003HX5
Chemical Name:
2-(Pyridin-2-ylsulfonyl)acetonitrile
CAS Number:
170449-34-0
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD00041443
IUPAC Name:
2-pyridin-2-ylsulfonylacetonitrile
InChI:
InChI=1S/C7H6N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,6H2
InChI Key:
SAKACXZDAJXBCI-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1ccccn1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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