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Home > Other Building Blocks > 182296-79-3
182296-79-3 | 1,2-Benzenedicarbonitrile, 4,5-bis(methylsulfonyl)-
CAS No: 182296-79-3 Catalog No: AG0023L2 MDL No:
Product Description
Catalog Number:
AG0023L2
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-bis(methylsulfonyl)-
CAS Number:
182296-79-3
Molecular Formula:
C10H8N2O4S2
Molecular Weight:
284.3115
IUPAC Name:
4,5-bis(methylsulfonyl)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C10H8N2O4S2/c1-17(13,14)9-3-7(5-11)8(6-12)4-10(9)18(2,15)16/h3-4H,1-2H3
InChI Key:
SHYJYWLJMLZSTL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(cc1C#N)S(=O)(=O)C)S(=O)(=O)C
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.304g/mol
Monoisotopic Mass:
283.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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