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10595-21-8 | 3-Pyrazolidinone,1-(2-benzothiazolyl)-(6CI,7CI,9CI)
CAS No: 10595-21-8 Catalog No: AG009RFH MDL No:
Product Description
Catalog Number:
AG009RFH
Chemical Name:
3-Pyrazolidinone,1-(2-benzothiazolyl)-(6CI,7CI,9CI)
CAS Number:
10595-21-8
IUPAC Name:
1-(1,3-benzothiazol-2-yl)pyrazolidin-3-one
InChI:
InChI=1S/C10H9N3OS/c14-9-5-6-13(12-9)10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,14)
InChI Key:
HLESEOXHRZRIAG-UHFFFAOYSA-N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.262g/mol
Monoisotopic Mass:
219.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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