Methyl 2-methyl-3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Name: Methyl 2-methyl-3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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CAS No. 2954872-25-2
Cat. No. CS-0888729
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 2-methyl-3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0888729

Structure of 2954872-25-2

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General Information

CAS No. 2954872-25-2
Cat. No. CS-0888729
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₀BNO₆
Molecular Weight 321.13
Synonym(s) None
SMILES O=C(OC)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C([N+]([O-])=O)=C1C

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 87.9
LogP 1.98902
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Drug Discovery Cancer PARP

Key Words

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Methyl 2-methyl-3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS No. 2954872-25-2

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