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31329-63-2 | Isoxazole,4-iodo-5-phenyl-
CAS No: 31329-63-2 Catalog No: AG007HKA MDL No:
Product Description
Catalog Number:
AG007HKA
Chemical Name:
Isoxazole,4-iodo-5-phenyl-
CAS Number:
31329-63-2
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
IUPAC Name:
4-iodo-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C9H6INO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
InChI Key:
WOXIDHXRACCFIT-UHFFFAOYSA-N
SMILES:
Ic1cnoc1c1ccccc1
Properties
Complexity:
148
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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