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Home > Nitro Compounds > 614-21-1
614-21-1 | BENZOYLNITROMETHANE
CAS No: 614-21-1 Catalog No: AG003O35 MDL No:MFCD00010218
Product Description
Catalog Number:
AG003O35
Chemical Name:
BENZOYLNITROMETHANE
CAS Number:
614-21-1
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00010218
IUPAC Name:
2-nitro-1-phenylethanone
InChI:
InChI=1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
JTWHVBNYYWFXSI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C[N+](=O)[O-]
NSC Number:
4509
Properties
Complexity:
179
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:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Characterisation of Plasmodium falciparum aspartic protease inhibition by piperidine derivatives. | Natural product research 20111201 |
| (E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-nitro-phen-yl)ethyl-idene]hydrazine. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Biodegradation of the major color containing compounds in distillery wastewater by an aerobic bacterial culture and characterization of their metabolites. | Biodegradation 20100901 |
| (E)-3-(4-Fluoro-phen-yl)-1-(2-nitro-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20100601 |
| 2-Aminoacetophenone as a potential breath biomarker for Pseudomonas aeruginosa in the cystic fibrosis lung. | BMC pulmonary medicine 20100101 |
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