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Home > Fluorides > 640768-03-2
640768-03-2 | 4-Fluoro-1-isobutoxy-2-nitrobenzene
CAS No: 640768-03-2 Catalog No: AG01EWRK MDL No:
Product Description
Catalog Number:
AG01EWRK
Chemical Name:
4-Fluoro-1-isobutoxy-2-nitrobenzene
CAS Number:
640768-03-2
Molecular Formula:
C10H12FNO3
Molecular Weight:
213.2056
IUPAC Name:
4-fluoro-1-(2-methylpropoxy)-2-nitrobenzene
InChI:
InChI=1S/C10H12FNO3/c1-7(2)6-15-10-4-3-8(11)5-9(10)12(13)14/h3-5,7H,6H2,1-2H3
InChI Key:
OYFUJWGXUCLYHH-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1[N+](=O)[O-])F)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.208g/mol
Monoisotopic Mass:
213.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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