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63467-98-1 | 3-Ethyl-2-methyl-5-phenylbenzoxazolium
CAS No: 63467-98-1 Catalog No: AG00ETTO MDL No:
Product Description
Catalog Number:
AG00ETTO
Chemical Name:
3-Ethyl-2-methyl-5-phenylbenzoxazolium
CAS Number:
63467-98-1
IUPAC Name:
3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium
InChI:
InChI=1S/C16H16NO/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/q+1
InChI Key:
RCJIJPZYPFGZEW-UHFFFAOYSA-N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.123g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.31g/mol
Monoisotopic Mass:
238.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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