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63870-49-5 | Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, ethyl sulfate
CAS No: 63870-49-5 Catalog No: AG01FOK5 MDL No:
Product Description
Catalog Number:
AG01FOK5
Chemical Name:
Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, ethyl sulfate
CAS Number:
63870-49-5
IUPAC Name:
3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium;ethyl sulfate
InChI:
InChI=1S/C16H16NO.C2H6O4S/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13;1-2-6-7(3,4)5/h4-11H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
OBYRJRMHXXGCPJ-UHFFFAOYSA-M
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.428g/mol
Monoisotopic Mass:
363.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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