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Home > Nitro Compounds > 428839-06-9
428839-06-9 | 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol
CAS No: 428839-06-9 Catalog No: AG00J85B MDL No:MFCD02375589
Product Description
Catalog Number:
AG00J85B
Chemical Name:
3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol
CAS Number:
428839-06-9
Molecular Formula:
C16H13N3O4
Molecular Weight:
311.2921
MDL Number:
MFCD02375589
IUPAC Name:
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C16H13N3O4/c1-23-14-8-2-11(3-9-14)15-10-16(20)18(17-15)12-4-6-13(7-5-12)19(21)22/h2-10,17H,1H3
InChI Key:
JOVRGUDJBLTHAM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(n(n1)c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.297g/mol
Monoisotopic Mass:
311.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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