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16825-78-8 | Benzene, 1-iodyl-3-nitro-
CAS No: 16825-78-8 Catalog No: AG001XXO MDL No:
Product Description
Catalog Number:
AG001XXO
Chemical Name:
Benzene, 1-iodyl-3-nitro-
CAS Number:
16825-78-8
Molecular Formula:
C6H4INO4
Molecular Weight:
281.0047
IUPAC Name:
1-iodyl-3-nitrobenzene
InChI:
InChI=1S/C6H4INO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChI Key:
PSLSYWRHLJIBMS-UHFFFAOYSA-N
SMILES:
O=[I](=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.919g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.005g/mol
Monoisotopic Mass:
280.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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