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63059-64-3 | 2,3-dimethyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS No: 63059-64-3 Catalog No: AG00EV16 MDL No:
Product Description
Catalog Number:
AG00EV16
Chemical Name:
2,3-dimethyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS Number:
63059-64-3
IUPAC Name:
2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C15H14NO.C7H8O3S/c1-11-16(2)14-10-13(8-9-15(14)17-11)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
LFYUSOSBWWUDIH-UHFFFAOYSA-M
EC Number:
263-830-4
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.119g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.473g/mol
Monoisotopic Mass:
395.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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