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374775-24-3 | Benzothiazole, 2-(1H-indazol-1-yl)-
CAS No: 374775-24-3 Catalog No: AG0079N5 MDL No:
Product Description
Catalog Number:
AG0079N5
Chemical Name:
Benzothiazole, 2-(1H-indazol-1-yl)-
CAS Number:
374775-24-3
Molecular Formula:
C14H9N3S
Molecular Weight:
251.3064
IUPAC Name:
2-indazol-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C14H9N3S/c1-3-7-12-10(5-1)9-15-17(12)14-16-11-6-2-4-8-13(11)18-14/h1-9H
InChI Key:
PUBYFYQQNABUII-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n(nc2)c1nc2c(s1)cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.307g/mol
Monoisotopic Mass:
251.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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