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40499-78-3 | Furazan,di-p-anisoyl-,2-oxide
CAS No: 40499-78-3 Catalog No: AG003QP9 MDL No:
Product Description
Catalog Number:
AG003QP9
Chemical Name:
Furazan,di-p-anisoyl-,2-oxide
CAS Number:
40499-78-3
Molecular Formula:
C18H14N2O6
Molecular Weight:
354.3136
IUPAC Name:
[4-(4-methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3
InChI Key:
FSLCSENNTORBKX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1[n+]([O-])onc1C(=O)c1ccc(cc1)OC
NSC Number:
144988
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.085g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.318g/mol
Monoisotopic Mass:
354.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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