RefChem:563927

2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-6-methylbenzenesulfonic acid

Also Known As: EINECS 263-294-1|Benzenesulfonic acid, 2(or 5)-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-5(or 2)-methyl-|2-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-6-methylbenzenesulfonic acid|Benzenesulfonic acid, 2(or 5)-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-5(or 2)-methyl-|2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-6-methylbenzenesulfonic acid|2(Or 5)-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-5(or 2)-methylbenzenesulphonic acid|2-[(4-AMINO-3-BROMO-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)AMINO]-6-METHYLBENZENE-1-SULFONIC ACID

Molecular Formula	C21H15BrN2O5S
Molecular Weight	485.9885 g/mol
LogP	4.11
Topological Polar Surface Area	126.56 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	485.9885
Heavy Atoms	30
Complexity	1366.0

Chemical Identifiers

CAS Number	61886-54-2
SMILES	CC1=C(C(=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)S(=O)(=O)O