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Home Nitros 1-Bromo-2-ethoxy-4-nitrobenzene

1-Bromo-2-ethoxy-4-nitrobenzene

CAS No.:
423165-33-7
Catalog Number:
AG003GQA
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
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Product Description
Catalog Number:
AG003GQA
Chemical Name:
1-Bromo-2-ethoxy-4-nitrobenzene
CAS Number:
423165-33-7
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD03790890
IUPAC Name:
1-bromo-2-ethoxy-4-nitrobenzene
InChI:
InChI=1S/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3
InChI Key:
ZALXYXWTUXLPBJ-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1Br)[N+](=O)[O-]
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Low level determination of 4-amino-2-ethoxy-cinnamic acid and its ethyl ester in a drug substance and its formulation prototypes by HPLC-UV-DAD. Journal of chromatographic science 20090401
Properties