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Home > Boronic Acids > 77091-62-4
77091-62-4 | 1H-1,2,4,3-Triazaborole, 2,3-dihydro-2,3,5-triphenyl-
CAS No: 77091-62-4 Catalog No: AG005EFB MDL No:
Product Description
Catalog Number:
AG005EFB
Chemical Name:
1H-1,2,4,3-Triazaborole, 2,3-dihydro-2,3,5-triphenyl-
CAS Number:
77091-62-4
Molecular Formula:
C19H16BN3
Molecular Weight:
297.1614
IUPAC Name:
2,3,5-triphenyl-1H-1,2,4,3-triazaborole
InChI:
InChI=1S/C19H16BN3/c1-4-10-16(11-5-1)19-21-20(17-12-6-2-7-13-17)23(22-19)18-14-8-3-9-15-18/h1-15H,(H,21,22)
InChI Key:
GQMWGSMXQDZRKU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1NC(=NB1c1ccccc1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.144g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.168g/mol
Monoisotopic Mass:
297.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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