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12402-46-9

12402-46-9 structural image
Product Name: 3-NITROBENZONITRILE
Formula: C7H4N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pale yellow powder with an almond-like odor; [Alfa Aesar MSDS]
Vapor Pressure 0.00217 [mmHg]
Chemical Classes Nitrogen Compounds -> Nitriles

COMPUTED DESCRIPTORS

Molecular Weight 148.12 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 148.027277375 g/mol
Monoisotopic Mass 148.027277375 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 200
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
Compound Is Canonicalized Yes