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885272-52-6

885272-52-6 structural image
Product Name: 8-CHLORO-1,3,4,4A,5,9B-HEXAHYDRO-PYRIDO[4,3-B]INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula: C16H21ClN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 308.80 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 308.1291556 g/mol
Monoisotopic Mass 308.1291556 g/mol
Topological Polar Surface Area 41.6 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 410
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes