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846023-26-5 | Benzene, 1-ethoxy-2-iodo-4-nitro-
CAS No: 846023-26-5 Catalog No: AG004QAH MDL No:
Product Description
Catalog Number:
AG004QAH
Chemical Name:
Benzene, 1-ethoxy-2-iodo-4-nitro-
CAS Number:
846023-26-5
Molecular Formula:
C8H8INO3
Molecular Weight:
293.0585
IUPAC Name:
1-ethoxy-2-iodo-4-nitrobenzene
InChI:
InChI=1S/C8H8INO3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2H2,1H3
InChI Key:
BZKMOSFWSDZMIZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1I)[N+](=O)[O-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.06g/mol
Monoisotopic Mass:
292.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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