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126085-92-5 | Isoxazole, 5-iodo-3-methyl-
CAS No: 126085-92-5 Catalog No: AG000RFW MDL No:MFCD24368603
Product Description
Catalog Number:
AG000RFW
Chemical Name:
Isoxazole, 5-iodo-3-methyl-
CAS Number:
126085-92-5
Molecular Formula:
C4H4INO
Molecular Weight:
208.9851
MDL Number:
MFCD24368603
IUPAC Name:
5-iodo-3-methyl-1,2-oxazole
InChI:
InChI=1S/C4H4INO/c1-3-2-4(5)7-6-3/h2H,1H3
InChI Key:
KJLKRLDWQPENMK-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)I
Properties
Complexity:
68.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.934g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.986g/mol
Monoisotopic Mass:
208.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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