2379-77-3 Purity
96%
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Specification
The molecular formula of Vat brown 1 is C42H18N2O6.
The molecular weight of Vat brown 1 is 646.6 g/mol.
The synonym of Vat brown 1 is Amanthrene Brown BR.
The InChIKey of Vat brown 1 is DCYIADGZPJOOFN-UHFFFAOYSA-N.
The Canonical SMILES of Vat brown 1 is C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C6C7=C(C8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)NC6=C1C(=C5N4)C(=O)C2=CC=CC=C2C1=O.
The CAS number of Vat brown 1 is 2475-33-4.
The XLogP3-AA value of Vat brown 1 is 7.7.
Vat brown 1 has 2 hydrogen bond donor counts.
Vat brown 1 has 6 hydrogen bond acceptor counts.
Vat brown 1 has 0 rotatable bond counts.