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Home > Nitro Compounds > 89193-31-7
89193-31-7 | Benzene, 2-nitro-1,4-bis(2-nitro-1-propenyl)-
CAS No: 89193-31-7 Catalog No: AG003VPM MDL No:
Product Description
Catalog Number:
AG003VPM
Chemical Name:
Benzene, 2-nitro-1,4-bis(2-nitro-1-propenyl)-
CAS Number:
89193-31-7
Molecular Formula:
C12H11N3O6
Molecular Weight:
293.2322
IUPAC Name:
2-nitro-1,4-bis(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C12H11N3O6/c1-8(13(16)17)5-10-3-4-11(6-9(2)14(18)19)12(7-10)15(20)21/h3-7H,1-2H3
InChI Key:
BGAOXTZIXBTITC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=Cc1ccc(c(c1)[N+](=O)[O-])C=C([N+](=O)[O-])C)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.235g/mol
Monoisotopic Mass:
293.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3
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