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4121-67-9

4121-67-9 | sodium 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonate

CAS No: 4121-67-9 Catalog No: AG00D5YZ MDL No:

Product Description

Catalog Number:
AG00D5YZ
Chemical Name:
sodium 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonate
CAS Number:
4121-67-9
IUPAC Name:
sodium;2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C26H16N2O5S2.Na/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30;/h2-12,21H,1H3,(H,31,32,33);/q;+1/p-1
InChI Key:
CBELTANGRJODTC-UHFFFAOYSA-M
EC Number:
223-919-0

Properties

Complexity:
950  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.032g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.525g/mol
Monoisotopic Mass:
522.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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