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539807-91-5 | [2-(1,3-Benzothiazol-2-yl)pyridin-3-yl]methanol
CAS No: 539807-91-5 Catalog No: AG01AQ6O MDL No:MFCD03715684
Product Description
Catalog Number:
AG01AQ6O
Chemical Name:
[2-(1,3-Benzothiazol-2-yl)pyridin-3-yl]methanol
CAS Number:
539807-91-5
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD03715684
IUPAC Name:
[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]methanol
InChI:
InChI=1S/C13H10N2OS/c16-8-9-4-3-7-14-12(9)13-15-10-5-1-2-6-11(10)17-13/h1-7,16H,8H2
InChI Key:
ZUBRIOGHEPQOKG-UHFFFAOYSA-N
SMILES:
OCc1cccnc1c1nc2c(s1)cccc2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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