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Home > Nitro Compounds > 174493-50-6
174493-50-6 | Benzene, 1-[(2-ethylhexyl)oxy]-4-nitro-
CAS No: 174493-50-6 Catalog No: AG001ZP6 MDL No:
Product Description
Catalog Number:
AG001ZP6
Chemical Name:
Benzene, 1-[(2-ethylhexyl)oxy]-4-nitro-
CAS Number:
174493-50-6
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
1-(2-ethylhexoxy)-4-nitrobenzene
InChI:
InChI=1S/C14H21NO3/c1-3-5-6-12(4-2)11-18-14-9-7-13(8-10-14)15(16)17/h7-10,12H,3-6,11H2,1-2H3
InChI Key:
VRRTWIDGEHUUPJ-UHFFFAOYSA-N
SMILES:
CCCCC(COc1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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