CAS 81238-58-6 18-Crown-5 [4-(2,4-Dinitrophenylazo)phenol]

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18-Crown-5 [4-(2,4-Dinitrophenylazo)phenol]

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Catalog Number

ACM81238586-1

CAS Number

81238-58-6

Product Name

18-Crown-5 [4-(2,4-Dinitrophenylazo)phenol]

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

19-[(2,4-dinitrophenyl)diazenyl]-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol

Molecular Weight

506.5g/mol

Molecular Formula

C22H26N4O10

Canonical SMILES

C1COCCOCC2=CC(=CC(=C2O)COCCOCCO1)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O10/c27-22-16-11-18(23-24-20-2-1-19(25(28)29)13-21(20)26(30)31)12-17(22)15-36-10-8-34-6-4-32-3-5-33-7-9-35-14-16/h1-2,11-13,27H,3-10,14-15H2

InChI Key

QWXPMOXJXQUNKI-UHFFFAOYSA-N

Complexity

677

Covalently-Bonded Unit Count

Exact Mass

506.164893g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

506.164893g/mol

Rotatable Bond Count

XLogP3

1.6

MSDS

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COA

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Spec Sheet

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