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Home > Nitro Compounds > 956612-15-0
956612-15-0 | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-nitrophenyl)ethan-1-one
CAS No: 956612-15-0 Catalog No: AG00IZ12 MDL No:MFCD03305874
Product Description
Catalog Number:
AG00IZ12
Chemical Name:
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-nitrophenyl)ethan-1-one
CAS Number:
956612-15-0
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD03305874
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C13H13N3O3/c1-9-6-10(2)15(14-9)8-13(17)11-4-3-5-12(7-11)16(18)19/h3-7H,8H2,1-2H3
InChI Key:
HIXLZDUAEURDJG-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)CC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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