CAS 60835-69-0 4'-Nitrobenzo-15-crown 5-Ether

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4'-Nitrobenzo-15-crown 5-Ether

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Catalog Number

ACM60835690-1

CAS Number

60835-69-0

Product Name

4'-Nitrobenzo-15-crown 5-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene

Molecular Weight

313.3g/mol

Molecular Formula

C14H19NO7

Canonical SMILES

C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1

InChI

InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2

InChI Key

XIWRBQVYCZCEPG-UHFFFAOYSA-N

Complexity

323

Covalently-Bonded Unit Count

Exact Mass

313.116152g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

313.116152g/mol

NSC Number

175879

Rotatable Bond Count

XLogP3

0.2

MSDS

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COA

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Spec Sheet

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