6369-65-9 Purity
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Specification
The molecular formula of Vat Brown 22 is C26H10Cl2N4O2.
The synonyms of Vat Brown 22 are C.I. Vat Brown 22, Vat Brown 22, 8005-30-9, EINECS 232-336-0, and 7,20-dichloro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,18(23),19,21,24,26(30),27-tridecaene-11,16-dione.
The molecular weight of Vat Brown 22 is 481.3 g/mol.
Vat Brown 22 was created on November 7, 2015, and last modified on December 23, 2023.
The IUPAC name of Vat Brown 22 is 7,20-dichloro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,18(23),19,21,24,26(30),27-tridecaene-11,16-dione.
The InChI of Vat Brown 22 is InChI=1S/C26H10Cl2N4O2/c27-11-1-7-17-19(9-11)31-23(29-17)13-3-4-14-22-16(6-5-15(21(13)22)25(31)33)26(34)32-20-10-12(28)2-8-18(20)30-24(14)32/h1-10H.
The InChIKey of Vat Brown 22 is NHVRYPRPUHOVMR-UHFFFAOYSA-N.
The canonical SMILES of Vat Brown 22 is C1=CC2=C(C=C1Cl)N3C(=N2)C4=C5C(=CC=C6C5=C(C=C4)C7=NC8=C(N7C6=O)C=C(C=C8)Cl)C3=O.
The CAS number of Vat Brown 22 is 8005-30-9.
The XLogP3-AA value of Vat Brown 22 is 6.