3-chloro-6-nitro-benZo[b]thiophene-2-carboxylic acid methyl ester

Name: 3-chloro-6-nitro-benZo[b]thiophene-2-carboxylic acid methyl ester
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CAS No. 59812-36-1
Cat. No. CS-0231634
Purity≥95%
MDL No.None

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3-chloro-6-nitro-benZo[b]thiophene-2-carboxylic acid methyl ester|CS-0231634

Structure of 59812-36-1

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General Information

CAS No. 59812-36-1
Cat. No. CS-0231634
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₆ClNO₄S
Molecular Weight 271.68
Synonym(s) Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-nitro-, methyl ester
SMILES O=C(C1=C(Cl)C2=CC=C([N+]([O-])=O)C=C2S1)OC

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 69.44
LogP 3.2495
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiophene compounds

Key Words

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3-chloro-6-nitro-benZo[b]thiophene-2-carboxylic acid methyl ester

CAS No. 59812-36-1

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