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96631-27-5 | 2,4-Diethoxy-5-fluoronitrobenzene
CAS No: 96631-27-5 Catalog No: AG01F07X MDL No:MFCD12547865
Product Description
Catalog Number:
AG01F07X
Chemical Name:
2,4-Diethoxy-5-fluoronitrobenzene
CAS Number:
96631-27-5
Molecular Formula:
C10H12FNO4
Molecular Weight:
229.2050
MDL Number:
MFCD12547865
IUPAC Name:
1,5-diethoxy-2-fluoro-4-nitrobenzene
InChI:
InChI=1S/C10H12FNO4/c1-3-15-9-6-10(16-4-2)8(12(13)14)5-7(9)11/h5-6H,3-4H2,1-2H3
InChI Key:
UGBSFXMSOVYLCM-UHFFFAOYSA-N
SMILES:
CCOc1cc(OCC)c(cc1F)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.207g/mol
Monoisotopic Mass:
229.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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