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Home > Boronic Acids > 1150620-53-3
1150620-53-3 | Benzonitrile, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
CAS No: 1150620-53-3 Catalog No: AG000FTU MDL No:MFCD23703126
Product Description
Catalog Number:
AG000FTU
Chemical Name:
Benzonitrile, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
CAS Number:
1150620-53-3
Molecular Formula:
C16H18BN3O2
Molecular Weight:
295.1440
MDL Number:
MFCD23703126
IUPAC Name:
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]benzonitrile
InChI:
InChI=1S/C16H18BN3O2/c1-15(2)16(3,4)22-17(21-15)14-9-10-19-20(14)13-7-5-12(11-18)6-8-13/h5-10H,1-4H3
InChI Key:
IBYVHNDLVWBVHS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1nccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.149g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.149g/mol
Monoisotopic Mass:
295.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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