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56327-78-7

56327-78-7 structural image
Product Name: 2-METHYL-6-NITROPHENYL ISOCYANATE 97
Formula: C8H6N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 178.14 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 178.03784206 g/mol
Monoisotopic Mass 178.03784206 g/mol
Topological Polar Surface Area 75.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 242
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