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654064-97-8 | Benzothiazole, 2-(3-methyl-1H-pyrazol-4-yl)- (9CI)
CAS No: 654064-97-8 Catalog No: AG00EO91 MDL No:
Product Description
Catalog Number:
AG00EO91
Chemical Name:
Benzothiazole, 2-(3-methyl-1H-pyrazol-4-yl)- (9CI)
CAS Number:
654064-97-8
IUPAC Name:
2-(3-methylpyrazolidin-4-yl)-1,3-benzothiazole
InChI:
InChI=1S/C11H13N3S/c1-7-8(6-12-14-7)11-13-9-4-2-3-5-10(9)15-11/h2-5,7-8,12,14H,6H2,1H3
InChI Key:
GSNJGLSJDFFPOK-UHFFFAOYSA-N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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