AC1L96P0 structure

AC1L96P0

2-[2-[2-[2-(1,3-dihydro-1,3,2-benzodiazaborol-2-yl)phenyl]ethynyl]phenyl]-1,3-dihydro-1,3,2-benzodiazaborole

Also Known As: 2,2'-[Ethyne-1,2-diyldi(2,1-phenylene)]bis(2,3-dihydro-1H-1,3,2-benzodiazaborole)|2-[2-[2-[2-(1,3-dihydro-1,3,2-benzodiazaborol-2-yl)phenyl]et|2-[2-[2-[2-(1,3-dihydro-1,3,2-benzodiazaborol-2-yl)phenyl]ethynyl]phenyl]-1,3-dihydro-1,3,2-benzodiazaborole

CAS: 7147-06-0
Molecular Formula C26H20B2N4
Molecular Weight 410.1874 g/mol
LogP 3.552
Topological Polar Surface Area 48.1 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 410.1874
Monoisotopic Mass 410.1874
Heavy Atoms 32
Complexity 635.0

Chemical Identifiers

CAS Number 7147-06-0
SMILES B1(NC2=CC=CC=C2N1)C3=CC=CC=C3C#CC4=CC=CC=C4B5NC6=CC=CC=C6N5
InChIKey HZZWWGWDSKFZEA-UHFFFAOYSA-N

Product Overview

AC1L96P0 (CAS 7147-06-0), with molecular formula C26H20B2N4 and molecular weight 410.1874 g/mol. IUPAC: 2-[2-[2-[2-(1,3-dihydro-1,3,2-benzodiazaborol-2-yl)phenyl]ethynyl]phenyl]-1,3-dihydro-1,3,2-benzodiazaborole.

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