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918522-60-8 | Oxazole, 2-[1,1-bis(iodomethyl)pentyl]-4,5-dihydro-4,4-dimethyl-
CAS No: 918522-60-8 Catalog No: AG006DNH MDL No:
Product Description
Catalog Number:
AG006DNH
Chemical Name:
Oxazole, 2-[1,1-bis(iodomethyl)pentyl]-4,5-dihydro-4,4-dimethyl-
CAS Number:
918522-60-8
Molecular Formula:
C12H21I2NO
Molecular Weight:
449.1102
IUPAC Name:
2-[1-iodo-2-(iodomethyl)hexan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C12H21I2NO/c1-4-5-6-12(7-13,8-14)10-15-11(2,3)9-16-10/h4-9H2,1-3H3
InChI Key:
IVDRAOAXEKFNTI-UHFFFAOYSA-N
SMILES:
CCCCC(C1=NC(CO1)(C)C)(CI)CI
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.115g/mol
Monoisotopic Mass:
448.971g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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