Vat Brown 3

CAS
131-92-0
Catalog Number
ACM131920
Category
Vat Dyes
Molecular Weight
665.65
Molecular Formula
C42H23N3O6

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Specification

Synonyms
C.I. VAT BROWN 3;Vatbrown;Benzamide, N,N-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho2,3-a:2,3-icarbazole-4,9-diyl)bis-;Calcoloid Brown R.;Vat brown 3 (C.I. 69015);C.I. 69015;C.I. Pigment Brown 28;N,N'-(10,15,16,17-Tetrahydro-5,10,15,17-tetra
Density
1.537
Appearance
Odorless brown to dark brown powder.
What is the molecular formula of Vat Brown 3?

The molecular formula of Vat Brown 3 is C42H23N3O6.

What is the molecular weight of Vat Brown 3?

The molecular weight of Vat Brown 3 is 665.6 g/mol.

How is the molecular weight computed?

The molecular weight is computed by PubChem 2.2.

When was Vat Brown 3 created in the database?

Vat Brown 3 was created in the database on August 8, 2005.

When was Vat Brown 3 last modified in the database?

Vat Brown 3 was last modified in the database on December 23, 2023.

What is the IUPAC name of Vat Brown 3?

The IUPAC name of Vat Brown 3 is N-(28-benzamido-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.0 2,15 .0 5,14 .0 7,12 .0 18,27 .0 20,25 ]nonacosa-1(29),2(15),3,5(14),7(12),8,10,17,20,22,24,27-dodecaen-8-yl)benzamide.

What is the Canonical SMILES of Vat Brown 3?

The Canonical SMILES of Vat Brown 3 is C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C4)C6=CC(=C7C(=C6N5)C(=O)C8=CC=CC=C8C7=O)NC(=O)C9=CC=CC=C9.

What is the CAS number of Vat Brown 3?

The CAS number of Vat Brown 3 is 131-92-0.

What is the XLogP3-AA value of Vat Brown 3?

The XLogP3-AA value of Vat Brown 3 is 8.1.

What is the hydrogen bond acceptor count of Vat Brown 3?

The hydrogen bond acceptor count of Vat Brown 3 is 6.

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