Free Chemical Databases
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[Synonyms]
2-Nitroperbenzoic acid
EINECS 216-982-0
1711-41-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 183.1183 [g/mol] Molecular Formula C7H5NO5 XLogP 1 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 2 Exact Mass 183.016772 MonoIsotopic Mass 183.016772 Topological Polar Surface Area 89.7 Heavy Atom Count 13 Formal Charge 0 Complexity 211 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-nitrobenzenecarboperoxoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)OO)[N+](=O)[O-]
InChI: InChI=1/C7H5NO5/c9-7(13-12)5-3-1-2-4-6(5)8(10)11/h1-4,12H
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