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120-48-9

120-48-9 structural image
Product Name: N-BUTYL 4-NITROBENZOATE
Formula: C11H13NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1697 1700 1704 1715 1727 1738

COMPUTED DESCRIPTORS

Molecular Weight 223.22 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 223.08445790 g/mol
Monoisotopic Mass 223.08445790 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 241
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