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6054-52-0 | 1,2,3,4-Tetrahydro-6-[(6-methoxybenzothiazol-2-yl)azo]benzo[h]quinoline-3,7-diol
CAS No: 6054-52-0 Catalog No: AG00F3BH MDL No:
Product Description
Catalog Number:
AG00F3BH
Chemical Name:
1,2,3,4-Tetrahydro-6-[(6-methoxybenzothiazol-2-yl)azo]benzo[h]quinoline-3,7-diol
CAS Number:
6054-52-0
IUPAC Name:
6-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol
InChI:
InChI=1S/C21H18N4O3S/c1-28-13-5-6-15-18(9-13)29-21(23-15)25-24-16-8-11-7-12(26)10-22-20(11)14-3-2-4-17(27)19(14)16/h2-6,8-9,12,22,26-27H,7,10H2,1H3
InChI Key:
FDAJGVIHOOEOPU-UHFFFAOYSA-N
EC Number:
611-988-3
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.11g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.46g/mol
Monoisotopic Mass:
406.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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