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439094-71-0 | 1-[3-(3-methoxyphenyl)-2,1-benzoxazol-5-yl]ethan-1-one
CAS No: 439094-71-0 Catalog No: AG00INRS MDL No:MFCD02661649
Product Description
Catalog Number:
AG00INRS
Chemical Name:
1-[3-(3-methoxyphenyl)-2,1-benzoxazol-5-yl]ethan-1-one
CAS Number:
439094-71-0
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD02661649
IUPAC Name:
1-[3-(3-methoxyphenyl)-2,1-benzoxazol-5-yl]ethanone
InChI:
InChI=1S/C16H13NO3/c1-10(18)11-6-7-15-14(9-11)16(20-17-15)12-4-3-5-13(8-12)19-2/h3-9H,1-2H3
InChI Key:
BBOVQEBXVCWZFV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1onc2c1cc(cc2)C(=O)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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