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752212-59-2 | Oxazole, 2-(3,4-dimethylphenyl)-4-(iodomethyl)-5-(1-methylethyl)-
CAS No: 752212-59-2 Catalog No: AG005YOE MDL No:
Product Description
Catalog Number:
AG005YOE
Chemical Name:
Oxazole, 2-(3,4-dimethylphenyl)-4-(iodomethyl)-5-(1-methylethyl)-
CAS Number:
752212-59-2
Molecular Formula:
C15H18INO
Molecular Weight:
355.2140
IUPAC Name:
2-(3,4-dimethylphenyl)-4-(iodomethyl)-5-propan-2-yl-1,3-oxazole
InChI:
InChI=1S/C15H18INO/c1-9(2)14-13(8-16)17-15(18-14)12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3
InChI Key:
FTJREIAOAPABHN-UHFFFAOYSA-N
SMILES:
ICc1nc(oc1C(C)C)c1ccc(c(c1)C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.219g/mol
Monoisotopic Mass:
355.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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