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851014-73-8 | Oxazolium, 3-methyl-2,5-diphenyl-, iodide
CAS No: 851014-73-8 Catalog No: AG004RER MDL No:
Product Description
Catalog Number:
AG004RER
Chemical Name:
Oxazolium, 3-methyl-2,5-diphenyl-, iodide
CAS Number:
851014-73-8
Molecular Formula:
C16H14INO
Molecular Weight:
363.1929
IUPAC Name:
3-methyl-2,5-diphenyl-1,3-oxazol-3-ium;iodide
InChI:
InChI=1S/C16H14NO.HI/c1-17-12-15(13-8-4-2-5-9-13)18-16(17)14-10-6-3-7-11-14;/h2-12H,1H3;1H/q+1;/p-1
InChI Key:
ZFZQWRSLZUTIEG-UHFFFAOYSA-M
SMILES:
C[n+]1cc(oc1c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.198g/mol
Monoisotopic Mass:
363.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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