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Home > Nitro Compounds > 123342-26-7
123342-26-7 | Acetonitrile, 2,2-dinitro-, ion(1-), ammonium (1:1)
CAS No: 123342-26-7 Catalog No: AG000KFB MDL No:
Product Description
Catalog Number:
AG000KFB
Chemical Name:
Acetonitrile, 2,2-dinitro-, ion(1-), ammonium (1:1)
CAS Number:
123342-26-7
Molecular Formula:
C2HN3O4
Molecular Weight:
131.0470
IUPAC Name:
2,2-dinitroacetonitrile
InChI:
InChI=1S/C2HN3O4/c3-1-2(4(6)7)5(8)9/h2H
InChI Key:
FFTLEZMCZZAUQJ-UHFFFAOYSA-N
SMILES:
N#CC([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.997g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.047g/mol
Monoisotopic Mass:
130.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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