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88330-47-6 | Isoxazolidinium, 2,2-dimethyl-3-(4-methylphenyl)-5-phenyl-, iodide
CAS No: 88330-47-6 Catalog No: AG0089S7 MDL No:
Product Description
Catalog Number:
AG0089S7
Chemical Name:
Isoxazolidinium, 2,2-dimethyl-3-(4-methylphenyl)-5-phenyl-, iodide
CAS Number:
88330-47-6
Molecular Formula:
C18H22INO
Molecular Weight:
395.2779
IUPAC Name:
2,2-dimethyl-3-(4-methylphenyl)-5-phenyl-1,2-oxazolidin-2-ium;iodide
InChI:
InChI=1S/C18H22NO.HI/c1-14-9-11-15(12-10-14)17-13-18(20-19(17,2)3)16-7-5-4-6-8-16;/h4-12,17-18H,13H2,1-3H3;1H/q+1;/p-1
InChI Key:
LOUNTEMKSUHLDP-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C1CC(O[N+]1(C)C)c1ccccc1.[I-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.284g/mol
Monoisotopic Mass:
395.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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