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133044-33-4 | 2(3H)-Benzothiazolone, 6-(4-chlorobenzoyl)-
CAS No: 133044-33-4 Catalog No: AG0011KK MDL No:
Product Description
Catalog Number:
AG0011KK
Chemical Name:
2(3H)-Benzothiazolone, 6-(4-chlorobenzoyl)-
CAS Number:
133044-33-4
Molecular Formula:
C14H8ClNO2S
Molecular Weight:
289.7368
IUPAC Name:
6-(4-chlorobenzoyl)-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C14H8ClNO2S/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
InChI Key:
ISGBQTVKVNHZLZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.733g/mol
Monoisotopic Mass:
288.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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