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160377-48-0 | Isoxazole, 5-(4-iodophenyl)-
CAS No: 160377-48-0 Catalog No: AG001RW6 MDL No:MFCD02681898
Product Description
Catalog Number:
AG001RW6
Chemical Name:
Isoxazole, 5-(4-iodophenyl)-
CAS Number:
160377-48-0
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
MDL Number:
MFCD02681898
IUPAC Name:
5-(4-iodophenyl)-1,2-oxazole
InChI:
InChI=1S/C9H6INO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
InChI Key:
TYNWYXFACGRXMG-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1ccno1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.057g/mol
Monoisotopic Mass:
270.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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