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Home > Nitro Compounds > 89346-80-5
89346-80-5 | Benzene, 1-nitro-4-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]-
CAS No: 89346-80-5 Catalog No: AG003XYT MDL No:
Product Description
Catalog Number:
AG003XYT
Chemical Name:
Benzene, 1-nitro-4-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]-
CAS Number:
89346-80-5
Molecular Formula:
C20H25NO7
Molecular Weight:
391.4150
IUPAC Name:
1-nitro-4-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
InChI:
InChI=1S/C20H25NO7/c22-21(23)18-6-8-20(9-7-18)28-17-15-26-13-11-24-10-12-25-14-16-27-19-4-2-1-3-5-19/h1-9H,10-17H2
InChI Key:
HBJHYSPCZDSPOS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCOCCOCCOCCOc1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.42g/mol
Monoisotopic Mass:
391.163g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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