3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]propyl 2-chloroacetate

Name: 3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]propyl 2-chloroacetate
Brand: ChemScene
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CAS No. 591212-99-6
Cat. No. CS-0318376
Purity≥97%
MDL No.None

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3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]propyl 2-chloroacetate|CS-0318376

Structure of 591212-99-6

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General Information

CAS No. 591212-99-6
Cat. No. CS-0318376
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃ClN₂O₄S
Molecular Weight 316.76
Synonym(s) EU-0046322
SMILES O=C(OCCCNC1=NS(=O)(=O)C=2C=CC=CC12)CCl

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 84.83
LogP 0.8972
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisothiazole compounds

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3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]propyl 2-chloroacetate

CAS No. 591212-99-6

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