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Home > Fluorides > 1154426-16-0
1154426-16-0 | Benzoic acid, 2-fluoro-6-nitro-, ethyl ester
CAS No: 1154426-16-0 Catalog No: AG000G02 MDL No:MFCD10566814
Product Description
Catalog Number:
AG000G02
Chemical Name:
Benzoic acid, 2-fluoro-6-nitro-, ethyl ester
CAS Number:
1154426-16-0
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
MDL Number:
MFCD10566814
IUPAC Name:
ethyl 2-fluoro-6-nitrobenzoate
InChI:
InChI=1S/C9H8FNO4/c1-2-15-9(12)8-6(10)4-3-5-7(8)11(13)14/h3-5H,2H2,1H3
InChI Key:
AQTBBISJVNTXEV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)cccc1[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.164g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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