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227178-06-5 | 3H-Pyrazol-3-one,4-(2-benzothiazolyl)-2,4-dihydro-(9CI)
CAS No: 227178-06-5 Catalog No: AG00BTKC MDL No:
Product Description
Catalog Number:
AG00BTKC
Chemical Name:
3H-Pyrazol-3-one,4-(2-benzothiazolyl)-2,4-dihydro-(9CI)
CAS Number:
227178-06-5
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-1,4-dihydropyrazol-5-one
InChI:
InChI=1S/C10H7N3OS/c14-9-6(5-11-13-9)10-12-7-3-1-2-4-8(7)15-10/h1-6H,(H,13,14)
InChI Key:
QZRQACFTNXPWFU-UHFFFAOYSA-N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.246g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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