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3979-45-1

3979-45-1 structural image
Product Name: ETHYL 2-CHLORO-3-NITROBENZOATE
Formula: C9H8ClNO4
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COMPUTED DESCRIPTORS

Molecular Weight 229.62 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 229.0141854 g/mol
Monoisotopic Mass 229.0141854 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 253
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