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57844-94-7 | 1-(3-phenyl-2,1-benzoxazol-5-yl)ethan-1-one
CAS No: 57844-94-7 Catalog No: AG00IUS9 MDL No:MFCD00663829
Product Description
Catalog Number:
AG00IUS9
Chemical Name:
1-(3-phenyl-2,1-benzoxazol-5-yl)ethan-1-one
CAS Number:
57844-94-7
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD00663829
IUPAC Name:
1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone
InChI:
InChI=1S/C15H11NO2/c1-10(17)12-7-8-14-13(9-12)15(18-16-14)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
VQFCWDRAGUGXCP-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)c(on2)c1ccccc1
Properties
Complexity:
312
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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