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49606-44-2

49606-44-2 structural image
Product Name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one
Formula: C17H11ClF4N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2270 2255

COMPUTED DESCRIPTORS

Molecular Weight 370.7 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 370.0496033 g/mol
Monoisotopic Mass 370.0496033 g/mol
Topological Polar Surface Area 32.7 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 539
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