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1258650-40-6 | 7(4H)-Benzothiazolone, 2-(4-chlorophenyl)-5,6-dihydro-
CAS No: 1258650-40-6 Catalog No: AG000OVH MDL No:MFCD17026647
Product Description
Catalog Number:
AG000OVH
Chemical Name:
7(4H)-Benzothiazolone, 2-(4-chlorophenyl)-5,6-dihydro-
CAS Number:
1258650-40-6
Molecular Formula:
C13H10ClNOS
Molecular Weight:
263.7426
MDL Number:
MFCD17026647
IUPAC Name:
2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI:
InChI=1S/C13H10ClNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChI Key:
XXCCTQYLMPIBBY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2c(s1)C(=O)CCC2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.739g/mol
Monoisotopic Mass:
263.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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