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67019-21-0 | N-(2,1-Benzisothiazol-3-yl)butanamide
CAS No: 67019-21-0 Catalog No: AG005RGA MDL No:
Product Description
Catalog Number:
AG005RGA
Chemical Name:
N-(2,1-Benzisothiazol-3-yl)butanamide
CAS Number:
67019-21-0
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
IUPAC Name:
N-(2,1-benzothiazol-3-yl)butanamide
InChI:
InChI=1S/C11H12N2OS/c1-2-5-10(14)12-11-8-6-3-4-7-9(8)13-15-11/h3-4,6-7H,2,5H2,1H3,(H,12,14)
InChI Key:
JSGJKPXQZWWURE-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1snc2c1cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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