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122500-88-3 | Benzothiazole, 6-methyl-2-(1H-pyrazol-1-yl)- (9CI)
CAS No: 122500-88-3 Catalog No: AG00A3QT MDL No:
Product Description
Catalog Number:
AG00A3QT
Chemical Name:
Benzothiazole, 6-methyl-2-(1H-pyrazol-1-yl)- (9CI)
CAS Number:
122500-88-3
IUPAC Name:
6-methyl-2-pyrazol-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H9N3S/c1-8-3-4-9-10(7-8)15-11(13-9)14-6-2-5-12-14/h2-7H,1H3
InChI Key:
QLYKCTYHHWXJOB-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:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.274g/mol
Monoisotopic Mass:
215.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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