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Home > Nitro Compounds > 692264-91-8
692264-91-8 | 1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-ol
CAS No: 692264-91-8 Catalog No: AG00J85F MDL No:MFCD01561843
Product Description
Catalog Number:
AG00J85F
Chemical Name:
1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-ol
CAS Number:
692264-91-8
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD01561843
IUPAC Name:
2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C15H11N3O3/c19-15-10-14(11-4-2-1-3-5-11)16-17(15)12-6-8-13(9-7-12)18(20)21/h1-10,16H
InChI Key:
OABSOCGJVXDRKG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(cc1O)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^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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