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Home > Boronic Acids > 1350933-21-9
1350933-21-9 | 2-Hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 1350933-21-9 Catalog No: AG009WKY MDL No:MFCD16994359
Product Description
Catalog Number:
AG009WKY
Chemical Name:
2-Hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1350933-21-9
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
MDL Number:
MFCD16994359
IUPAC Name:
2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-15)11(16)7-10/h5-7,16H,1-4H3
InChI Key:
BBTAKLYSMLVVNR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.085g/mol
Monoisotopic Mass:
245.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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