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Home > Nitro Compounds > 192388-36-6
192388-36-6 | Benzene, 1,4-bis[2-nitro-1-(nitromethyl)ethyl]-
CAS No: 192388-36-6 Catalog No: AG002FWJ MDL No:
Product Description
Catalog Number:
AG002FWJ
Chemical Name:
Benzene, 1,4-bis[2-nitro-1-(nitromethyl)ethyl]-
CAS Number:
192388-36-6
Molecular Formula:
C12H14N4O8
Molecular Weight:
342.2616
IUPAC Name:
1,4-bis(1,3-dinitropropan-2-yl)benzene
InChI:
InChI=1S/C12H14N4O8/c17-13(18)5-11(6-14(19)20)9-1-2-10(4-3-9)12(7-15(21)22)8-16(23)24/h1-4,11-12H,5-8H2
InChI Key:
DZBUHLCRPUWLLP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1ccc(cc1)C(C[N+](=O)[O-])C[N+](=O)[O-])C[N+](=O)[O-]
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.264g/mol
Monoisotopic Mass:
342.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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