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Home > Nitro Compounds > 827340-49-8
827340-49-8 | 1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis(propoxymethyl)-
CAS No: 827340-49-8 Catalog No: AG00586B MDL No:
Product Description
Catalog Number:
AG00586B
Chemical Name:
1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis(propoxymethyl)-
CAS Number:
827340-49-8
Molecular Formula:
C20H24N2O6
Molecular Weight:
388.4144
IUPAC Name:
2-nitro-4-[3-nitro-4-(propoxymethyl)phenyl]-1-(propoxymethyl)benzene
InChI:
InChI=1S/C20H24N2O6/c1-3-9-27-13-17-7-5-15(11-19(17)21(23)24)16-6-8-18(14-28-10-4-2)20(12-16)22(25)26/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
InChI Key:
IRPTWVCAQNTGOF-UHFFFAOYSA-N
SMILES:
CCCOCc1ccc(cc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])COCCC
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.42g/mol
Monoisotopic Mass:
388.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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