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10166-78-6 | Quinoxaline, 2-(4-methoxyphenyl)-3-phenyl-
CAS No: 10166-78-6 Catalog No: AG00054C MDL No:
Product Description
Catalog Number:
AG00054C
Chemical Name:
Quinoxaline, 2-(4-methoxyphenyl)-3-phenyl-
CAS Number:
10166-78-6
Molecular Formula:
C21H16N2O
Molecular Weight:
312.3645
IUPAC Name:
2-(4-methoxyphenyl)-3-phenylquinoxaline
InChI:
InChI=1S/C21H16N2O/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3
InChI Key:
LTJCRWFXZREOEO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2ccccc2nc1c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.372g/mol
Monoisotopic Mass:
312.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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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