Free Chemical Databases
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[Synonyms]
NSC35343
Benzene, 2-iodo-1-methyl-3-nitro-
6277-17-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 263.03251 [g/mol] Molecular Formula C7H6INO2 XLogP 3.2 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 0 Exact Mass 262.944321 MonoIsotopic Mass 262.944321 Topological Polar Surface Area 43.1 Heavy Atom Count 11 Formal Charge 0 Complexity 157 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-iodo-1-methyl-3-nitrobenzene
Canonical SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])I
InChI: InChI=1/C7H6INO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
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