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Home > Boronic Acids > 101159-95-9
101159-95-9 | Benzoic acid, 4-(1,2-dihydro-2,5-diphenyl-3H-1,2,4,3-triazaborol-3-yl)-
CAS No: 101159-95-9 Catalog No: AG0003US MDL No:
Product Description
Catalog Number:
AG0003US
Chemical Name:
Benzoic acid, 4-(1,2-dihydro-2,5-diphenyl-3H-1,2,4,3-triazaborol-3-yl)-
CAS Number:
101159-95-9
Molecular Formula:
C20H16BN3O2
Molecular Weight:
341.1709
IUPAC Name:
4-(2,5-diphenyl-1H-1,2,4,3-triazaborol-3-yl)benzoic acid
InChI:
InChI=1S/C20H16BN3O2/c25-20(26)16-11-13-17(14-12-16)21-22-19(15-7-3-1-4-8-15)23-24(21)18-9-5-2-6-10-18/h1-14H,(H,22,23)(H,25,26)
InChI Key:
YBVSPQRRGDSJPR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)B1N=C(NN1c1ccccc1)c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.134g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.177g/mol
Monoisotopic Mass:
341.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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