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878812-23-8 | Oxazole, 4,5-dihydro-2-[2-iodo-1,1-bis(iodomethyl)ethyl]-4,4-dimethyl-
CAS No: 878812-23-8 Catalog No: AG004FXM MDL No:
Product Description
Catalog Number:
AG004FXM
Chemical Name:
Oxazole, 4,5-dihydro-2-[2-iodo-1,1-bis(iodomethyl)ethyl]-4,4-dimethyl-
CAS Number:
878812-23-8
Molecular Formula:
C9H14I3NO
Molecular Weight:
532.9270
IUPAC Name:
2-[1,3-diiodo-2-(iodomethyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C9H14I3NO/c1-8(2)6-14-7(13-8)9(3-10,4-11)5-12/h3-6H2,1-2H3
InChI Key:
MSRNDQKMOYPDFP-UHFFFAOYSA-N
SMILES:
ICC(C1=NC(CO1)(C)C)(CI)CI
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.821g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.93g/mol
Monoisotopic Mass:
532.821g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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