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919201-81-3 | 5(4H)-Oxazolone, 4-(2(3H)-benzothiazolylidene)-2-phenyl-
CAS No: 919201-81-3 Catalog No: AG006KFD MDL No:
Product Description
Catalog Number:
AG006KFD
Chemical Name:
5(4H)-Oxazolone, 4-(2(3H)-benzothiazolylidene)-2-phenyl-
CAS Number:
919201-81-3
Molecular Formula:
C16H10N2O2S
Molecular Weight:
294.3278
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazol-5-ol
InChI:
InChI=1S/C16H10N2O2S/c19-16-13(15-17-11-8-4-5-9-12(11)21-15)18-14(20-16)10-6-2-1-3-7-10/h1-9,19H
InChI Key:
LILQCAXJTMVPNU-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=c1sc2c([nH]1)cccc2)c1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.328g/mol
Monoisotopic Mass:
294.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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