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84012-57-7 | 1,2-Benzisothiazol-3(2H)-one,2-(1-piperidinylmethyl)-
CAS No: 84012-57-7 Catalog No: AG008HBE MDL No:
Product Description
Catalog Number:
AG008HBE
Chemical Name:
1,2-Benzisothiazol-3(2H)-one,2-(1-piperidinylmethyl)-
CAS Number:
84012-57-7
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
2-(piperidin-1-ylmethyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C13H16N2OS/c16-13-11-6-2-3-7-12(11)17-15(13)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChI Key:
NCHWTFBQYUSMGV-UHFFFAOYSA-N
SMILES:
O=c1n(CN2CCCCC2)sc2c1cccc2
EC Number:
281-698-6
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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