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360072-54-4

360072-54-4 structural image
Product Name: METHYL 3-(4-CHLOROPHENYL)-2-METHOXYCARBONYL-4-NITROBUTANOATE
Formula: C13H14ClNO6
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COMPUTED DESCRIPTORS

Molecular Weight 315.70 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 315.0509649 g/mol
Monoisotopic Mass 315.0509649 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 373
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes