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15827-61-9 | Benzoxazole, 2,2'-(1,2-ethanediyl)bis[5-methyl-
CAS No: 15827-61-9 Catalog No: AG001Q3M MDL No:
Product Description
Catalog Number:
AG001Q3M
Chemical Name:
Benzoxazole, 2,2'-(1,2-ethanediyl)bis[5-methyl-
CAS Number:
15827-61-9
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
5-methyl-2-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
InChI:
InChI=1S/C18H16N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
UDKXETOFYQJYNN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)CCc1nc2c(o1)ccc(c2)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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