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65840-58-6 | Ethanone, 1-(6-methoxy-2-benzothiazolyl)-
CAS No: 65840-58-6 Catalog No: AG006O67 MDL No:
Product Description
Catalog Number:
AG006O67
Chemical Name:
Ethanone, 1-(6-methoxy-2-benzothiazolyl)-
CAS Number:
65840-58-6
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
1-(6-methoxy-1,3-benzothiazol-2-yl)ethanone
InChI:
InChI=1S/C10H9NO2S/c1-6(12)10-11-8-4-3-7(13-2)5-9(8)14-10/h3-5H,1-2H3
InChI Key:
LYFRQMFSTCKOIK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)C(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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