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Home > Nitro Compounds > 4155-82-2
4155-82-2 | 5-(2-furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CAS No: 4155-82-2 Catalog No: AG01D0BL MDL No:MFCD00207086
Product Description
Catalog Number:
AG01D0BL
Chemical Name:
5-(2-furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CAS Number:
4155-82-2
Molecular Formula:
C19H15N3O3
Molecular Weight:
333.3407
MDL Number:
MFCD00207086
IUPAC Name:
3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
InChI Key:
DCFSIJLWXJXSQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.347g/mol
Monoisotopic Mass:
333.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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