ChemSpider 2D Image | Vat Brown 3 | C42H23N3O6

Vat Brown 3

  • Molecular FormulaC42H23N3O6
  • Average mass665.648 Da
  • Monoisotopic mass665.158691 Da
  • ChemSpider ID8263

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C.I. Pigment Brown 28
131-92-0 [RN]
205-044-6 [EINECS]
Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis- [ACD/Index Name]
C.I Vat brown 3
N,N'-(5,10,15,17-Tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2',3'-i]carbazol-4,9-diyl)dibenzamid [German] [ACD/IUPAC Name]
N,N'-(5,10,15,17-Tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)dibenzamide [ACD/IUPAC Name]
N,N'-(5,10,15,17-Tétraoxo-10,15,16,17-tétrahydro-5H-dinaphto[2,3-a:2',3'-i]carbazole-4,9-diyl)dibenzamide [French] [ACD/IUPAC Name]
Vat Brown 3
11098-29-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9Z11GKO85B [DBID]
BRN 0382039 [DBID]
C.I. 69015 [DBID]
CCRIS 4892 [DBID]
UNII:9Z11GKO85B [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.831
Molar Refractivity: 190.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70110.52
ACD/KOC (pH 5.5): 102374.53
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70103.52
ACD/KOC (pH 7.4): 102364.30
Polar Surface Area: 142 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

Click to predict properties on the Chemicalize site


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