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Home > Fluorides > 1214379-18-6
1214379-18-6 | Benzoic acid, 2-fluoro-3-nitro-, ethyl ester
CAS No: 1214379-18-6 Catalog No: AG0014XS MDL No:MFCD10000916
Product Description
Catalog Number:
AG0014XS
Chemical Name:
Benzoic acid, 2-fluoro-3-nitro-, ethyl ester
CAS Number:
1214379-18-6
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
MDL Number:
MFCD10000916
IUPAC Name:
ethyl 2-fluoro-3-nitrobenzoate
InChI:
InChI=1S/C9H8FNO4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2H2,1H3
InChI Key:
MFXTZNGCDRNCKK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1F)C(=O)OCC
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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