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Home > Nitro Compounds > 85078-29-1
85078-29-1 | 1,1'-(2-nitroethane-1,1-diyl)bis(4-propoxybenzene)
CAS No: 85078-29-1 Catalog No: AG004OOM MDL No:
Product Description
Catalog Number:
AG004OOM
Chemical Name:
1,1'-(2-nitroethane-1,1-diyl)bis(4-propoxybenzene)
CAS Number:
85078-29-1
Molecular Formula:
C20H25NO4
Molecular Weight:
343.4168
IUPAC Name:
1-[2-nitro-1-(4-propoxyphenyl)ethyl]-4-propoxybenzene
InChI:
InChI=1S/C20H25NO4/c1-3-13-24-18-9-5-16(6-10-18)20(15-21(22)23)17-7-11-19(12-8-17)25-14-4-2/h5-12,20H,3-4,13-15H2,1-2H3
InChI Key:
LDXVRQJBOGQWHD-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(c1ccc(cc1)OCCC)C[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.423g/mol
Monoisotopic Mass:
343.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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