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84455-35-6 | 4-benzothiazol-2-yldiazenyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CAS No: 84455-35-6 Catalog No: AG004W51 MDL No:
Product Description
Catalog Number:
AG004W51
Chemical Name:
4-benzothiazol-2-yldiazenyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CAS Number:
84455-35-6
Molecular Formula:
C17H13N5OS
Molecular Weight:
335.3830
IUPAC Name:
4-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C17H13N5OS/c1-11-15(16(23)22(21-11)12-7-3-2-4-8-12)19-20-17-18-13-9-5-6-10-14(13)24-17/h2-10,15H,1H3
InChI Key:
ALTDCLQPJJVVPW-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1N=Nc1nc2c(s1)cccc2)c1ccccc1
EC Number:
282-897-0
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.385g/mol
Monoisotopic Mass:
335.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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