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17583-16-3 | 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
CAS No: 17583-16-3 Catalog No: AG01AA8I MDL No:MFCD16990668
Product Description
Catalog Number:
AG01AA8I
Chemical Name:
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
CAS Number:
17583-16-3
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
MDL Number:
MFCD16990668
IUPAC Name:
2-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI:
InChI=1S/C14H13NO2S/c1-17-10-7-5-9(6-8-10)14-15-11-3-2-4-12(16)13(11)18-14/h5-8H,2-4H2,1H3
InChI Key:
SLOHPGRIBDOXKE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(s1)C(=O)CCC2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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