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Home Nitros Benzene, 1-ethoxy-4-nitro-

Benzene, 1-ethoxy-4-nitro-

CAS No.:
100-29-8
Catalog Number:
AG00006M
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$171
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Product Description
Catalog Number:
AG00006M
Chemical Name:
Benzene, 1-ethoxy-4-nitro-
CAS Number:
100-29-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007330
IUPAC Name:
1-ethoxy-4-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChI Key:
NWPKEYHUZKMWKJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-837-9
UNII:
O0A69I1MCU
NSC Number:
9812
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
A high-throughput screen for directed evolution of the natural product sulfotransferase LipB. Journal of biomolecular screening 20110901
Metabolic engineering of Pseudomonas putida for the utilization of parathion as a carbon and energy source. Biotechnology and bioengineering 20020630
Binding and oxidation of alkyl 4-nitrophenyl ethers by rabbit cytochrome P450 1A2: evidence for two binding sites. Biochemistry 20010619
Properties