Vat Orange 3

• CAS: 4378-61-4
• Catalog Number: ACM4378614
• Category: Main Products
• Molecular Weight: 464.12
• Molecular Formula: C₂₂H₈Br₂O₂
• Synonyms: 4,10-Dibrom-dibenzo[def,mno]chrysen-6,12-dion; Indazin Scarlet GL; Lionogen Red GD; Helanthrene Orange RK; Hostaperm Scarlet GO; 4,10-dibromoanthanthrone; Monolite Red 2Y; Indanthrenbrillantorange RK; Lake Fast Red G; 4,10-dibromo-dibenzo[def,MnO]chrysene-6,12-dione; golden yellow KX; Sumitone Fast Red G; Brilliant Orange KKh; Brilliant Orange RK; 4.10-Dibrom-anthanthron
• IUPAC Name: Helio Brilliant Orange RK
• Canonical SMILES: C1=CC2=C3C(=C1)C(=CC4=C3C5=C(C2=O)C=C(C6=CC=CC(=C65)C4=O)Br)Br
• InChI Key: HTENFZMEHKCNMD-UHFFFAOYSA-N
• Boiling Point: 689.9ºC at 760 mmHg
• Flash Point: 229.6ºC
• Density: 1.97
• Appearance: solid
• EC Number: 224-481-3
• Exact Mass: 461.88900

Custom Q&A

What is the molecular formula of Vat Orange 3 according to the reference?

The molecular formula of Vat Orange 3 is C22H8Br2O2.

When was Vat Orange 3 created and modified according to the reference?

Vat Orange 3 was created on 2005-08-08 and modified on 2023-12-23.

What is the IUPAC name of Vat Orange 3 according to the reference?

The IUPAC name of Vat Orange 3 is 9,18-dibromohexacyclo[11.7.1.1 4,20 .0 2,11 .0 3,8 .0 17,21 ]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione.

What is the InChI of Vat Orange 3 according to the reference?

The InChI of Vat Orange 3 is InChI=1S/C22H8Br2O2/c23-15-7-14-19-17-9(15)3-1-5-11(17)21(25)13-8-16(24)10-4-2-6-12(22(14)26)18(10)20(13)19/h1-8H.

What is the Canonical SMILES of Vat Orange 3 according to the reference?

The Canonical SMILES of Vat Orange 3 is C1=CC2=C(C=C3C4=C2C(=C1)C(=O)C5=CC(=C6C=CC=C(C6=C54)C3=O)Br)Br.

What is the molecular weight of Vat Orange 3 according to the reference?

The molecular weight of Vat Orange 3 is 464.1 g/mol.

What is the XLogP3-AA value of Vat Orange 3 according to the reference?

The XLogP3-AA value of Vat Orange 3 is 6.5.

How many hydrogen bond donor counts does Vat Orange 3 have according to the reference?

Vat Orange 3 has 0 hydrogen bond donor counts.

What is the topological polar surface area of Vat Orange 3 according to the reference?

The topological polar surface area of Vat Orange 3 is 34.1 Ų.

How many heavy atom counts does Vat Orange 3 have according to the reference?

Vat Orange 3 has 26 heavy atom counts.