CAS 81238-57-5 15-Crown-4 [4-(2,4-Dinitrophenylazo)phenol]

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15-Crown-4 [4-(2,4-Dinitrophenylazo)phenol]

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Catalog Number

ACM81238575-1

Product Name

15-Crown-4 [4-(2,4-Dinitrophenylazo)phenol]

Structure

CAS

81238-57-5

Category

Macrocycles

IUPAC Name

16-[(2,4-dinitrophenyl)diazenyl]-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-18-ol

Molecular Weight

462.4g/mol

Molecular Formula

C20H22N4O9

Canonical SMILES

C1COCCOCC2=C(C(=CC(=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])COCCO1)O

InChI

InChI=1S/C20H22N4O9/c25-20-14-9-16(21-22-18-2-1-17(23(26)27)11-19(18)24(28)29)10-15(20)13-33-8-6-31-4-3-30-5-7-32-12-14/h1-2,9-11,25H,3-8,12-13H2

InChI Key

GUJVZRJZTRYCCS-UHFFFAOYSA-N

Complexity

632

Covalently-Bonded Unit Count

Exact Mass

462.138678g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

462.138678g/mol

Rotatable Bond Count

XLogP3

1.8

MSDS

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COA

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Spec Sheet

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