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66154-67-4 | 3-methanesulfonylpyridine-2-carbonitrile
CAS No: 66154-67-4 Catalog No: AG01BER1 MDL No:MFCD28681055
Product Description
Catalog Number:
AG01BER1
Chemical Name:
3-methanesulfonylpyridine-2-carbonitrile
CAS Number:
66154-67-4
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD28681055
IUPAC Name:
3-methylsulfonylpyridine-2-carbonitrile
InChI:
InChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-4-9-6(7)5-8/h2-4H,1H3
InChI Key:
HXIWYCHEVLMLGZ-UHFFFAOYSA-N
SMILES:
N#Cc1ncccc1S(=O)(=O)C
Properties
Complexity:
295
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:
1
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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