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869502-37-4 | Benzoxazole, 5-methyl-2-[(4-methylphenyl)methyl]-
CAS No: 869502-37-4 Catalog No: AG008E8B MDL No:
Product Description
Catalog Number:
AG008E8B
Chemical Name:
Benzoxazole, 5-methyl-2-[(4-methylphenyl)methyl]-
CAS Number:
869502-37-4
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
5-methyl-2-[(4-methylphenyl)methyl]-1,3-benzoxazole
InChI:
InChI=1S/C16H15NO/c1-11-3-6-13(7-4-11)10-16-17-14-9-12(2)5-8-15(14)18-16/h3-9H,10H2,1-2H3
InChI Key:
JNKURWOTAFLTDT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cc1oc2c(n1)cc(cc2)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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