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4614-21-5 | 2(3H)-Benzothiazolone, 3-(2-oxo-2-phenylethyl)-
CAS No: 4614-21-5 Catalog No: AG006XFH MDL No:
Product Description
Catalog Number:
AG006XFH
Chemical Name:
2(3H)-Benzothiazolone, 3-(2-oxo-2-phenylethyl)-
CAS Number:
4614-21-5
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
3-phenacyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C15H11NO2S/c17-13(11-6-2-1-3-7-11)10-16-12-8-4-5-9-14(12)19-15(16)18/h1-9H,10H2
InChI Key:
APFRMGDBMQWNIU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cn1c(=O)sc2c1cccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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