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37069-08-2 | Ethanone, 1-[4-(2-benzoxazolyl)phenyl]-
CAS No: 37069-08-2 Catalog No: AG007BX5 MDL No:
Product Description
Catalog Number:
AG007BX5
Chemical Name:
Ethanone, 1-[4-(2-benzoxazolyl)phenyl]-
CAS Number:
37069-08-2
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanone
InChI:
InChI=1S/C15H11NO2/c1-10(17)11-6-8-12(9-7-11)15-16-13-4-2-3-5-14(13)18-15/h2-9H,1H3
InChI Key:
VHNKBMHUVSYXKG-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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