Structure

Vat Red 31

CAS
12227-47-3
Catalog Number
ACM12227473
Category
Vat Dyes
Molecular Weight
512.47
Molecular Formula
C30H16N4O5

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Specification

Synonyms
Vat Red F3B;C.I. VAT RED 31);2,2'-(1,3,4-Oxadiazole-2,5-diyl)bis(1-aminoanthracene-9,10-dione);Vat Red 31
What is the molecular formula of Vat Red 31?

The molecular formula of Vat Red 31 is C30H16N4O5.

What is the molecular weight of Vat Red 31?

The molecular weight of Vat Red 31 is 512.5 g/mol.

What is the IUPAC name of Vat Red 31?

The IUPAC name of Vat Red 31 is 1-amino-2-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione.

What is the Canonical SMILES representation of Vat Red 31?

The Canonical SMILES representation of Vat Red 31 is C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)N)N.

What is the CAS number of Vat Red 31?

The CAS number of Vat Red 31 is 52591-25-0.

How many hydrogen bond donor counts does Vat Red 31 have?

Vat Red 31 has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Vat Red 31 have?

Vat Red 31 has 9 hydrogen bond acceptor counts.

What is the topological polar surface area of Vat Red 31?

The topological polar surface area of Vat Red 31 is 159 A^2.

How many heavy atoms does Vat Red 31 contain?

Vat Red 31 contains 39 heavy atoms.

What is the complexity value of Vat Red 31?

The complexity value of Vat Red 31 is 970.

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