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21493-04-9 | 2-[4-[[(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol)-4-yl]azo]phenyl]-6-methyl-7-benzothiazolesulfonic acid sodium salt
CAS No: 21493-04-9 Catalog No: AG00BQTS MDL No:
Product Description
Catalog Number:
AG00BQTS
Chemical Name:
2-[4-[[(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol)-4-yl]azo]phenyl]-6-methyl-7-benzothiazolesulfonic acid sodium salt
CAS Number:
21493-04-9
IUPAC Name:
sodium;6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C18H15N5O4S2.Na/c1-9-3-8-13-15(16(9)29(25,26)27)28-18(19-13)11-4-6-12(7-5-11)21-22-14-10(2)20-23-17(14)24;/h3-8,14H,1-2H3,(H,23,24)(H,25,26,27);/q;+1/p-1
InChI Key:
SFUMNJKXHFQBPA-UHFFFAOYSA-M
Properties
Complexity:
810
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.038g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.451g/mol
Monoisotopic Mass:
451.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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