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Home > Pyridines > 338751-62-5
338751-62-5 | 3-(4-methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
CAS No: 338751-62-5 Catalog No: AG00IU7X MDL No:MFCD00794591
Product Description
Catalog Number:
AG00IU7X
Chemical Name:
3-(4-methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
CAS Number:
338751-62-5
Molecular Formula:
C18H13N3O2
Molecular Weight:
303.3147
MDL Number:
MFCD00794591
IUPAC Name:
3-(4-methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
InChI:
InChI=1S/C18H13N3O2/c1-22-15-7-9-16(10-8-15)23-18-14(12-19)11-17(20-21-18)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
GSTMKQUKSPNAOA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1nnc(cc1C#N)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^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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