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Home > Nitro Compounds > 163418-56-2
163418-56-2 | Ethanol, 2-[4-[2-(4-nitrophenyl)diazenyl]phenoxy]-
CAS No: 163418-56-2 Catalog No: AG001U3N MDL No:
Product Description
Catalog Number:
AG001U3N
Chemical Name:
Ethanol, 2-[4-[2-(4-nitrophenyl)diazenyl]phenoxy]-
CAS Number:
163418-56-2
Molecular Formula:
C14H13N3O4
Molecular Weight:
287.2707
IUPAC Name:
2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethanol
InChI:
InChI=1S/C14H13N3O4/c18-9-10-21-14-7-3-12(4-8-14)16-15-11-1-5-13(6-2-11)17(19)20/h1-8,18H,9-10H2
InChI Key:
RGPPJAGFEXPGIG-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.275g/mol
Monoisotopic Mass:
287.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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