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17583-15-2 | 7(4H)-Benzothiazolone, 5,6-dihydro-2-phenyl-
CAS No: 17583-15-2 Catalog No: AG002188 MDL No:MFCD14705873
Product Description
Catalog Number:
AG002188
Chemical Name:
7(4H)-Benzothiazolone, 5,6-dihydro-2-phenyl-
CAS Number:
17583-15-2
Molecular Formula:
C13H11NOS
Molecular Weight:
229.2975
MDL Number:
MFCD14705873
IUPAC Name:
2-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI:
InChI=1S/C13H11NOS/c15-11-8-4-7-10-12(11)16-13(14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
LDXLKSGOQIQGLG-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1sc(n2)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.297g/mol
Monoisotopic Mass:
229.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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