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Home > Nitro Compounds > 816463-62-4
816463-62-4 | Benzene, 1,2-bis[(3,7-dimethyloctyl)oxy]-4,5-dinitro-
CAS No: 816463-62-4 Catalog No: AG00584C MDL No:
Product Description
Catalog Number:
AG00584C
Chemical Name:
Benzene, 1,2-bis[(3,7-dimethyloctyl)oxy]-4,5-dinitro-
CAS Number:
816463-62-4
Molecular Formula:
C26H44N2O6
Molecular Weight:
480.6374
IUPAC Name:
1,2-bis(3,7-dimethyloctoxy)-4,5-dinitrobenzene
InChI:
InChI=1S/C26H44N2O6/c1-19(2)9-7-11-21(5)13-15-33-25-17-23(27(29)30)24(28(31)32)18-26(25)34-16-14-22(6)12-8-10-20(3)4/h17-22H,7-16H2,1-6H3
InChI Key:
AODUSHOBOLEDOU-UHFFFAOYSA-N
SMILES:
CC(CCCC(C)C)CCOc1cc([N+](=O)[O-])c(cc1OCCC(CCCC(C)C)C)[N+](=O)[O-]
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.32g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.646g/mol
Monoisotopic Mass:
480.32g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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