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Home > Nitro Compounds > 792936-50-6
792936-50-6 | Benzene, 1,2-dinitro-4,5-bis(tetradecyloxy)-
CAS No: 792936-50-6 Catalog No: AG005L8Y MDL No:
Product Description
Catalog Number:
AG005L8Y
Chemical Name:
Benzene, 1,2-dinitro-4,5-bis(tetradecyloxy)-
CAS Number:
792936-50-6
Molecular Formula:
C34H60N2O6
Molecular Weight:
592.8500
IUPAC Name:
1,2-dinitro-4,5-di(tetradecoxy)benzene
InChI:
InChI=1S/C34H60N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-33-29-31(35(37)38)32(36(39)40)30-34(33)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChI Key:
CRSQJPCUUSHLTC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1cc([N+](=O)[O-])c(cc1OCCCCCCCCCCCCCC)[N+](=O)[O-]
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.445g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.862g/mol
Monoisotopic Mass:
592.445g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.9
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