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31995-60-5

31995-60-5 structural image
Product Name: 5-METHYL-4-NITRO-1H-1,2,3-BENZOTRIAZOLE
Formula: C7H6N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 178.15 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 178.04907545 g/mol
Monoisotopic Mass 178.04907545 g/mol
Topological Polar Surface Area 87.4 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 217
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

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