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Home > Nitro Compounds > 121-89-1
121-89-1 | 3'-Nitroacetophenone
CAS No: 121-89-1 Catalog No: AG003JSX MDL No:MFCD00007259
Product Description
Catalog Number:
AG003JSX
Chemical Name:
3'-Nitroacetophenone
CAS Number:
121-89-1
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00007259
IUPAC Name:
1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
InChI Key:
ARKIFHPFTHVKDT-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)[N+](=O)[O-]
EC Number:
204-504-3
UNII:
SU4B5T763F
NSC Number:
5511
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| (1E,2E)-1,2-Bis[1-(3-nitro-phen-yl)ethyl-idene]hydrazine. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Electrospray ionization mass spectrometry: a technique to access the information beyond the molecular weight of the analyte. | International journal of analytical chemistry 20120101 |
| (E)-1-(3-Nitro-phen-yl)ethanone (2-methyl-phen-yl)hydrazone. | Acta crystallographica. Section E, Structure reports online 20111001 |
| 2-Bromo-1-(3-nitro-phen-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20110101 |
| New reagents for increasing ESI multiple charging of proteins and protein complexes. | Journal of the American Society for Mass Spectrometry 20100101 |
| Synthesis, Characterization, and Biological Evaluation of certain 6-methyl-2(3H)-benzo-1, 3-thiazolyl-1'-ethylidene-2-(o, p- Substituted Acetophenones) Hydrazine Analogs. | Journal of young pharmacists : JYP 20100101 |
| (2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20080101 |
| 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 |
| Synthesis of some phenacyl derivatives of 1-methyl-7-methoxy-beta-carboline and their behavioural study. | Pakistan journal of pharmaceutical sciences 20030101 |
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