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37135-35-6 | Benzoxazole,2-(4-ethylphenyl)-
CAS No: 37135-35-6 Catalog No: AG007ANJ MDL No:
Product Description
Catalog Number:
AG007ANJ
Chemical Name:
Benzoxazole,2-(4-ethylphenyl)-
CAS Number:
37135-35-6
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
2-(4-ethylphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C15H13NO/c1-2-11-7-9-12(10-8-11)15-16-13-5-3-4-6-14(13)17-15/h3-10H,2H2,1H3
InChI Key:
PWDRABLQVUHYAE-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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