Home Halogens ethyl 4-bromo-2-fluoro-5-nitrobenzoate

ethyl 4-bromo-2-fluoro-5-nitrobenzoate

CAS No.:
1156940-29-2
Catalog Number:
AG01AJHI
Molecular Formula:
C9H7BrFNO4
Molecular Weight:
292.0586
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Product Description
Catalog Number:
AG01AJHI
Chemical Name:
ethyl 4-bromo-2-fluoro-5-nitrobenzoate
CAS Number:
1156940-29-2
Molecular Formula:
C9H7BrFNO4
Molecular Weight:
292.0586
MDL Number:
MFCD12172970
IUPAC Name:
ethyl 4-bromo-2-fluoro-5-nitrobenzoate
InChI:
InChI=1S/C9H7BrFNO4/c1-2-16-9(13)5-3-8(12(14)15)6(10)4-7(5)11/h3-4H,2H2,1H3
InChI Key:
GURCEFIKFODWPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)OCC)c(cc1Br)F
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.954g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.06g/mol
Monoisotopic Mass:
290.954g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties