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256414-72-9 | 2-(1H-Pyrazol-5-yl);benzo[d]thiazole
CAS No: 256414-72-9 Catalog No: AG003O2R MDL No:
Product Description
Catalog Number:
AG003O2R
Chemical Name:
2-(1H-Pyrazol-5-yl);benzo[d]thiazole
CAS Number:
256414-72-9
Molecular Formula:
C10H7N3S
Molecular Weight:
201.2477
IUPAC Name:
2-(1H-pyrazol-5-yl)-1,3-benzothiazole
InChI:
InChI=1S/C10H7N3S/c1-2-4-9-7(3-1)12-10(14-9)8-5-6-11-13-8/h1-6H,(H,11,13)
InChI Key:
YAMYGQRUEXYQIE-UHFFFAOYSA-N
SMILES:
n1ccc([nH]1)c1nc2c(s1)cccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.247g/mol
Monoisotopic Mass:
201.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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