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10478-02-1

10478-02-1 structural image
Product Name: butyl 3,5-dinitrobenzoate
Formula: C11H12N2O6
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1957 1942 1950 1959 1975 1985

COMPUTED DESCRIPTORS

Molecular Weight 268.22 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 268.06953611 g/mol
Monoisotopic Mass 268.06953611 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 326
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