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5-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

5-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS: 1029439-74-4

Formula: C13H16BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(O)C=C1C#N

IUPAC: 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

Composition: C (63.71%), H (6.58%), B (4.41%), N (5.72%), O (19.58%)

Molar Mass: 245.09

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.122323
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GDRLDPGGUZWIPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.42
Topological Polar Surface Area 62.48
Polarizability 26.44
Ring Count 2
Rotatable Bond Count 1

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