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672309-91-0

672309-91-0 structural image
Product Name: 7-BROMO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2-CARBOXYLIC ACID METHYL ESTER
Formula: C11H13BrN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 285.14 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 284.01604 g/mol
Monoisotopic Mass 284.01604 g/mol
Topological Polar Surface Area 50.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 262
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