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Home > Nitro Compounds > 184026-06-0
184026-06-0 | 6-Nitronaphthalene-2,3-dicarbonitrile
CAS No: 184026-06-0 Catalog No: AG003FI2 MDL No:MFCD00130124
Product Description
Catalog Number:
AG003FI2
Chemical Name:
6-Nitronaphthalene-2,3-dicarbonitrile
CAS Number:
184026-06-0
Molecular Formula:
C12H5N3O2
Molecular Weight:
223.1870
MDL Number:
MFCD00130124
IUPAC Name:
6-nitronaphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C12H5N3O2/c13-6-10-3-8-1-2-12(15(16)17)5-9(8)4-11(10)7-14/h1-5H
InChI Key:
JJSGXASWKOLCMQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccc(cc2cc1C#N)[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.191g/mol
Monoisotopic Mass:
223.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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