Home Nitros ethyl 4-fluoro-2-methyl-5-nitrobenzoate

ethyl 4-fluoro-2-methyl-5-nitrobenzoate

CAS No.:
1566415-08-4
Catalog Number:
AG01B8KY
Molecular Formula:
C10H10FNO4
Molecular Weight:
227.1891
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Product Description
Catalog Number:
AG01B8KY
Chemical Name:
ethyl 4-fluoro-2-methyl-5-nitrobenzoate
CAS Number:
1566415-08-4
Molecular Formula:
C10H10FNO4
Molecular Weight:
227.1891
MDL Number:
MFCD26863047
IUPAC Name:
ethyl 4-fluoro-2-methyl-5-nitrobenzoate
InChI:
InChI=1S/C10H10FNO4/c1-3-16-10(13)7-5-9(12(14)15)8(11)4-6(7)2/h4-5H,3H2,1-2H3
InChI Key:
ZNCRIBKOEOYAFB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)OCC)c(cc1F)C
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.191g/mol
Monoisotopic Mass:
227.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties