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85903-29-3 | Pyridine, 3-[5-(2-thienyl)-3-isoxazolyl]-
CAS No: 85903-29-3 Catalog No: AG004MWL MDL No:
Product Description
Catalog Number:
AG004MWL
Chemical Name:
Pyridine, 3-[5-(2-thienyl)-3-isoxazolyl]-
CAS Number:
85903-29-3
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
IUPAC Name:
3-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole
InChI:
InChI=1S/C12H8N2OS/c1-3-9(8-13-5-1)10-7-11(15-14-10)12-4-2-6-16-12/h1-8H
InChI Key:
PTZOQWVNAVADSW-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)c1noc(c1)c1cccs1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.269g/mol
Monoisotopic Mass:
228.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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