6049-19-0 Purity
96%
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Specification
The molecular formula of Indanthrene Black BBN is C34H15NO4.
The molecular weight of Indanthrene Black BBN is 501.5 g/mol.
Indanthrene Black BBN was created on August 8, 2005.
The IUPAC name of Indanthrene Black BBN is 30-nitrononacyclo[18.10.2.2 2,5 .0 3,16 .0 4,13 .0 6,11 .0 17,31 .0 22,27 .0 28,32 ]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione.
The InChI of Indanthrene Black BBN is InChI=1S/C34H15NO4/c36-33-21-7-3-1-5-16(21)18-9-12-23-28-19(10-13-24(33)29(18)28)20-11-14-25-30-26(15-27(35(38)39)31(23)32(20)30)17-6-2-4-8-22(17)34(25)37/h1-15H.
The InChIKey of Indanthrene Black BBN is LNNHYUOWYOSHPH-UHFFFAOYSA-N.
The canonical SMILES of Indanthrene Black BBN is C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=C(C=C7C8=CC=CC=C8C(=O)C9=C7C6=C5C=C9)[N+](=O)[O-])C2=O.
The CAS number of Indanthrene Black BBN is 128-60-9.
The XLogP3-AA value of Indanthrene Black BBN is 7.9.
The hydrogen bond acceptor count of Indanthrene Black BBN is 4.