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Home > Fluorides > 1233952-21-0
1233952-21-0 | 2-Fluoro-1-(neopentyloxy)-4-nitrobenzene
CAS No: 1233952-21-0 Catalog No: AG01FBXA MDL No:
Product Description
Catalog Number:
AG01FBXA
Chemical Name:
2-Fluoro-1-(neopentyloxy)-4-nitrobenzene
CAS Number:
1233952-21-0
Molecular Formula:
C11H14FNO3
Molecular Weight:
227.2322
IUPAC Name:
1-(2,2-dimethylpropoxy)-2-fluoro-4-nitrobenzene
InChI:
InChI=1S/C11H14FNO3/c1-11(2,3)7-16-10-5-4-8(13(14)15)6-9(10)12/h4-6H,7H2,1-3H3
InChI Key:
XPLRWPYIBVIVAE-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OCC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.235g/mol
Monoisotopic Mass:
227.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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