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54628-01-2 | 5-(1,3-benzothiazol-2-yl)pyridin-2-ol
CAS No: 54628-01-2 Catalog No: AG00IU24 MDL No:MFCD08443999
Product Description
Catalog Number:
AG00IU24
Chemical Name:
5-(1,3-benzothiazol-2-yl)pyridin-2-ol
CAS Number:
54628-01-2
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
MDL Number:
MFCD08443999
IUPAC Name:
5-(1,3-benzothiazol-2-yl)-1H-pyridin-2-one
InChI:
InChI=1S/C12H8N2OS/c15-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)16-12/h1-7H,(H,13,15)
InChI Key:
BBQYQEBIYBOKBJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cn1)c1nc2c(s1)cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.269g/mol
Monoisotopic Mass:
228.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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