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Home Nitros Ethyl 4-nitrophenylacetate

Ethyl 4-nitrophenylacetate

CAS No.:
5445-26-1
Catalog Number:
AG003QBJ
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$23
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003QBJ
Chemical Name:
Ethyl 4-nitrophenylacetate
CAS Number:
5445-26-1
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00017046
IUPAC Name:
ethyl 2-(4-nitrophenyl)acetate
InChI:
InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
InChI Key:
DWDRNKYLWMKWTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-]
EC Number:
226-646-5
NSC Number:
21986
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Vibrational spectral investigation and Natural Bond Orbital analysis of anti-rheumatoid drug ethyl 4-nitrophenylacetate--DFT approach. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201
Ethyl 4-nitro-phenyl-acetate. Acta crystallographica. Section E, Structure reports online 20080201
Properties