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Home > Nitro Compounds > 868071-51-6
868071-51-6 | Benzene, 2-nitro-1,3-bis(octyloxy)-
CAS No: 868071-51-6 Catalog No: AG004MI6 MDL No:
Product Description
Catalog Number:
AG004MI6
Chemical Name:
Benzene, 2-nitro-1,3-bis(octyloxy)-
CAS Number:
868071-51-6
Molecular Formula:
C22H37NO4
Molecular Weight:
379.5335
IUPAC Name:
2-nitro-1,3-dioctoxybenzene
InChI:
InChI=1S/C22H37NO4/c1-3-5-7-9-11-13-18-26-20-16-15-17-21(22(20)23(24)25)27-19-14-12-10-8-6-4-2/h15-17H,3-14,18-19H2,1-2H3
InChI Key:
OFEWSXHPFIDSDF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cccc(c1[N+](=O)[O-])OCCCCCCCC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.272g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.541g/mol
Monoisotopic Mass:
379.272g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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