2-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Name: 2-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
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CAS No. 2953780-57-7
Cat. No. CS-0888724
Purity≥98%
MDL No.None

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2-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile|CS-0888724

Structure of 2953780-57-7

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General Information

CAS No. 2953780-57-7
Cat. No. CS-0888724
Purity ≥98%
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₀BNO₂
Molecular Weight 257.14
Synonym(s) None
SMILES N#CCC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C)=C1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 42.25
LogP 2.3603
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Drug Discovery Cancer Polθ

Key Words

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2-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

CAS No. 2953780-57-7

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