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Home > Pyridines > 126856-88-0
126856-88-0 | 2(3H)-Benzothiazolone, 3-(2-pyridinylmethyl)-
CAS No: 126856-88-0 Catalog No: AG000TDF MDL No:
Product Description
Catalog Number:
AG000TDF
Chemical Name:
2(3H)-Benzothiazolone, 3-(2-pyridinylmethyl)-
CAS Number:
126856-88-0
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
IUPAC Name:
3-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-one
InChI:
InChI=1S/C13H10N2OS/c16-13-15(9-10-5-3-4-8-14-10)11-6-1-2-7-12(11)17-13/h1-8H,9H2
InChI Key:
DZANWURCSVYZTE-UHFFFAOYSA-N
SMILES:
O=c1sc2c(n1Cc1ccccn1)cccc2
Properties
Complexity:
297
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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