Compound C14H8BrNO8S2

5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acid

CAS: 117-13-5

Molecular Formula	`C14H8BrNO8S2`
Molecular Weight	462.3 g/mol
LogP	0.9
Topological Polar Surface Area	186.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	2
Exact Mass	460.88748
Heavy Atoms	26
Complexity	830.0

Chemical Identifiers

CAS Number	117-13-5
SMILES	`C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br`
InChIKey	`OEBFYWPAABOJCP-UHFFFAOYSA-N`

📖 Product Overview

Compound C14H8BrNO8S2 (CAS: 117-13-5) is a chemical compound with molecular formula C14H8BrNO8S2 and molecular weight 462.3 g/mol. Its IUPAC systematic name is 5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acid. LogP 0.9 Topological Polar Surface Area 186.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 2 Exact Mass 460.88748 Heavy Atoms 26 Complexity 830.0 InChI Key: OEBFYWPAABOJCP-UHFFFAOYSA-N. SMILES: C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br.

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