5-(Tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid

Name: 5-(Tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid
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CAS No. 1822540-63-5
Cat. No. CS-1032317
Molecule weight311.25
Purity≥95%
MDL No.None

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5-(Tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid|CS-1032317

Structure of 1822540-63-5

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General Information

CAS No. 1822540-63-5
Cat. No. CS-1032317
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₆F₃NO₅
Molecular Weight 311.25
Synonym(s) None
SMILES O=C(OC(C)(C)C)N1C(C(=O)O)COC2C1C2C(F)(F)F

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 76.07
LogP 1.6362
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Amide

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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5-(Tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid

CAS No. 1822540-63-5

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