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116355-65-8 | Acetic acid, 2-(5-fluoro-2-nitrophenoxy)-, methyl ester
CAS No: 116355-65-8 Catalog No: AG000CAF MDL No:MFCD00117826
Product Description
Catalog Number:
AG000CAF
Chemical Name:
Acetic acid, 2-(5-fluoro-2-nitrophenoxy)-, methyl ester
CAS Number:
116355-65-8
Molecular Formula:
C9H8FNO5
Molecular Weight:
229.1619
MDL Number:
MFCD00117826
IUPAC Name:
methyl 2-(5-fluoro-2-nitrophenoxy)acetate
InChI:
InChI=1S/C9H8FNO5/c1-15-9(12)5-16-8-4-6(10)2-3-7(8)11(13)14/h2-4H,5H2,1H3
InChI Key:
ODNCCKAYVNDMJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1OCC(=O)OC)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.163g/mol
Monoisotopic Mass:
229.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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