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69577-10-2 | 1,2-Benzisothiazol-3(2H)-one,2-[2-(1-pyrrolidinyl)ethyl]-
CAS No: 69577-10-2 Catalog No: AG006ASR MDL No:
Product Description
Catalog Number:
AG006ASR
Chemical Name:
1,2-Benzisothiazol-3(2H)-one,2-[2-(1-pyrrolidinyl)ethyl]-
CAS Number:
69577-10-2
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
2-(2-pyrrolidin-1-ylethyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C13H16N2OS/c16-13-11-5-1-2-6-12(11)17-15(13)10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2
InChI Key:
UOWPTFYGZGEOLW-UHFFFAOYSA-N
SMILES:
O=c1n(CCN2CCCC2)sc2c1cccc2
EC Number:
274-049-3
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:
3
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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