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13125-93-4 | Benzene, 1-iodo-4-nitroso-
CAS No: 13125-93-4 Catalog No: AG000VT5 MDL No:
Product Description
Catalog Number:
AG000VT5
Chemical Name:
Benzene, 1-iodo-4-nitroso-
CAS Number:
13125-93-4
Molecular Formula:
C6H4INO
Molecular Weight:
233.0065
IUPAC Name:
1-iodo-4-nitrosobenzene
InChI:
InChI=1S/C6H4INO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChI Key:
OORNJEMTTOSEKE-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)I
Properties
Complexity:
99.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.934g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.008g/mol
Monoisotopic Mass:
232.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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