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83467-36-1 | 4-(2-Iodoethyl);-3,5-dimethylisoxazole
CAS No: 83467-36-1 Catalog No: AG0053ZF MDL No:
Product Description
Catalog Number:
AG0053ZF
Chemical Name:
4-(2-Iodoethyl);-3,5-dimethylisoxazole
CAS Number:
83467-36-1
Molecular Formula:
C7H10INO
Molecular Weight:
251.0649
IUPAC Name:
4-(2-iodoethyl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C7H10INO/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3
InChI Key:
UQHKDFGFMKDTBO-UHFFFAOYSA-N
SMILES:
ICCc1c(C)noc1C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.067g/mol
Monoisotopic Mass:
250.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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