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Home > Nitro Compounds > 35213-00-4
35213-00-4 | 2,6-Dinitrobenzonitrile
CAS No: 35213-00-4 Catalog No: AG003320 MDL No:MFCD00041246
Product Description
Catalog Number:
AG003320
Chemical Name:
2,6-Dinitrobenzonitrile
CAS Number:
35213-00-4
Molecular Formula:
C7H3N3O4
Molecular Weight:
193.1164
MDL Number:
MFCD00041246
IUPAC Name:
2,6-dinitrobenzonitrile
InChI:
InChI=1S/C7H3N3O4/c8-4-5-6(9(11)12)2-1-3-7(5)10(13)14/h1-3H
InChI Key:
ZYDGHQSJZAFMLU-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.118g/mol
Monoisotopic Mass:
193.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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