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Home > Nitro Compounds > 52054-41-8
52054-41-8 | 2,4-Dicyanonitrobenzene
CAS No: 52054-41-8 Catalog No: AG01E4N4 MDL No:
Product Description
Catalog Number:
AG01E4N4
Chemical Name:
2,4-Dicyanonitrobenzene
CAS Number:
52054-41-8
IUPAC Name:
4-nitrobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)7(3-6)5-10/h1-3H
InChI Key:
WINJSPZPARNPQQ-UHFFFAOYSA-N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.131g/mol
Monoisotopic Mass:
173.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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