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793-40-8 | 6-methyl-2-{4-[(e)-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid
CAS No: 793-40-8 Catalog No: AG0052JP MDL No:
Product Description
Catalog Number:
AG0052JP
Chemical Name:
6-methyl-2-{4-[(e)-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid
CAS Number:
793-40-8
Molecular Formula:
C18H15N5O4S2
Molecular Weight:
429.4728
IUPAC Name:
1-chloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
InChI:
InChI=1S/C20H13Cl/c21-20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)20)15-9-3-6-12-18(15)20/h1-12,19H
InChI Key:
ZTEWLSXIOIOWMZ-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1/N=N/c1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O)C
NSC Number:
122893
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.774g/mol
Monoisotopic Mass:
288.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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