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865657-67-6

865657-67-6 structural image
Product Name: 2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID
Formula: C16H14BrNO5S
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COMPUTED DESCRIPTORS

Molecular Weight 412.3 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 410.97761 g/mol
Monoisotopic Mass 410.97761 g/mol
Topological Polar Surface Area 92.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 555
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