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10557-85-4 | 3,5-Dimethyl-4-iodoisoxazole
CAS No: 10557-85-4 Catalog No: AG003LKC MDL No:MFCD00173743
Product Description
Catalog Number:
AG003LKC
Chemical Name:
3,5-Dimethyl-4-iodoisoxazole
CAS Number:
10557-85-4
Molecular Formula:
C5H6INO
Molecular Weight:
223.0117
MDL Number:
MFCD00173743
IUPAC Name:
4-iodo-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChI Key:
NMNOXVWRJISEFE-UHFFFAOYSA-N
SMILES:
Ic1c(C)noc1C
Properties
Complexity:
88.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.949g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.013g/mol
Monoisotopic Mass:
222.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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