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Home Nitros Benzoylnitromethane

Benzoylnitromethane

CAS No.:
614-21-1
Catalog Number:
AG003O35
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$119
- +
25g
95%
In Stock USA
United States
$369
- +
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
Properties