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89942-56-3 | 2-(Methylsulfonyl);benzonitrile
CAS No: 89942-56-3 Catalog No: AG003F39 MDL No:MFCD11052333
Product Description
Catalog Number:
AG003F39
Chemical Name:
2-(Methylsulfonyl);benzonitrile
CAS Number:
89942-56-3
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD11052333
IUPAC Name:
2-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H7NO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,1H3
InChI Key:
SLNZDFDPYBTIHA-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1S(=O)(=O)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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