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439094-73-2 | 1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]ethan-1-one
CAS No: 439094-73-2 Catalog No: AG00INRT MDL No:MFCD02661650
Product Description
Catalog Number:
AG00INRT
Chemical Name:
1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]ethan-1-one
CAS Number:
439094-73-2
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD02661650
IUPAC Name:
1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]ethanone
InChI:
InChI=1S/C16H13NO2/c1-10-4-3-5-13(8-10)16-14-9-12(11(2)18)6-7-15(14)17-19-16/h3-9H,1-2H3
InChI Key:
ZLHMKRNGPZHAOX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1onc2c1cc(cc2)C(=O)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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