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Home > Boronic Acids > 1029439-74-4
1029439-74-4 | 5-Hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 1029439-74-4 Catalog No: AG0039FM MDL No:MFCD16994357
Product Description
Catalog Number:
AG0039FM
Chemical Name:
5-Hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1029439-74-4
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
MDL Number:
MFCD16994357
IUPAC Name:
5-hydroxy-2-(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)11-6-5-10(16)7-9(11)8-15/h5-7,16H,1-4H3
InChI Key:
GDRLDPGGUZWIPL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(O)ccc1B1OC(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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