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Home > Nitro Compounds > 477853-32-0
477853-32-0 | 5-methyl-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1H-pyrazol-3-one
CAS No: 477853-32-0 Catalog No: AG00IU4H MDL No:MFCD00140647
Product Description
Catalog Number:
AG00IU4H
Chemical Name:
5-methyl-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1H-pyrazol-3-one
CAS Number:
477853-32-0
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
MDL Number:
MFCD00140647
IUPAC Name:
5-methyl-2-(3-nitrophenyl)-4-phenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C16H13N3O3/c1-11-15(12-6-3-2-4-7-12)16(20)18(17-11)13-8-5-9-14(10-13)19(21)22/h2-10,17H,1H3
InChI Key:
AZYSDRGARDURMY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1[nH]c(c(c1=O)c1ccccc1)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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