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959977-85-6 | OXAZOLE, 4-PHENYL-5-(2-THIENYL)-
CAS No: 959977-85-6 Catalog No: AG006TJR MDL No:
Product Description
Catalog Number:
AG006TJR
Chemical Name:
OXAZOLE, 4-PHENYL-5-(2-THIENYL)-
CAS Number:
959977-85-6
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
IUPAC Name:
4-phenyl-5-thiophen-2-yl-1,3-oxazole
InChI:
InChI=1S/C13H9NOS/c1-2-5-10(6-3-1)12-13(15-9-14-12)11-7-4-8-16-11/h1-9H
InChI Key:
AEJKRHFQAHHEDZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncoc1c1cccs1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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