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133044-58-3 | 2(3H)-Benzothiazolone, 6-(2,6-dichlorobenzoyl)-
CAS No: 133044-58-3 Catalog No: AG0011KG MDL No:
Product Description
Catalog Number:
AG0011KG
Chemical Name:
2(3H)-Benzothiazolone, 6-(2,6-dichlorobenzoyl)-
CAS Number:
133044-58-3
Molecular Formula:
C14H7Cl2NO2S
Molecular Weight:
324.1819
IUPAC Name:
6-(2,6-dichlorobenzoyl)-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C14H7Cl2NO2S/c15-8-2-1-3-9(16)12(8)13(18)7-4-5-10-11(6-7)20-14(19)17-10/h1-6H,(H,17,19)
InChI Key:
VHWIHBNAGANTSM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C(=O)c1ccc2c(c1)sc(=O)[nH]2)Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.957g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.175g/mol
Monoisotopic Mass:
322.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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