2379-76-2 Purity
96%
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Specification
The molecular formula of VAT BLACK 27 is C42H23N3O6.
The molecular weight of VAT BLACK 27 is 665.6 g/mol.
Some synonyms of VAT BLACK 27 include Vat Black 27, Calcoloid Olive R, and C.I. VAT BLACK 27.
The IUPAC name of VAT BLACK 27 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),2,4,7,9,11,14,17,20,22,24,27-dodecaen-4-yl)benzamide.
The InChIKey of VAT BLACK 27 is OXEFCDNMUKTKDV-UHFFFAOYSA-N.
The Canonical SMILES of VAT BLACK 27 is C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C5=CC(=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)NC(=O)C8=CC=CC=C8)C(=O)C9=CC=CC=C9C3=O.
The CAS number of VAT BLACK 27 is 2379-81-9.
The XLogP3-AA value of VAT BLACK 27 is 8.1.
VAT BLACK 27 has 3 hydrogen bond donor counts.
The topological polar surface area of VAT BLACK 27 is 142Å2.