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500594-68-3

500594-68-3 structural image
Product Name: 3-(2-CHLORO-4-NITRO-PHENOXYMETHYL)-BENZOIC ACID METHYL ESTER
Formula: C15H12ClNO5
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COMPUTED DESCRIPTORS

Molecular Weight 321.71 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 321.0404002 g/mol
Monoisotopic Mass 321.0404002 g/mol
Topological Polar Surface Area 81.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 400
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