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Home > Boronic Acids > 1231892-37-7
1231892-37-7 | Benzonitrile, 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1231892-37-7 Catalog No: AG000K4B MDL No:
Product Description
Catalog Number:
AG000K4B
Chemical Name:
Benzonitrile, 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1231892-37-7
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
IUPAC Name:
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C14H18BNO2/c1-10-11(9-16)7-6-8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChI Key:
IHKQPZXLCHYHGK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.113g/mol
Monoisotopic Mass:
243.143g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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