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Home > Fluorides > 1233955-77-5
1233955-77-5 | 4-Fluoro-2-nitro-1-(pentan-3-yloxy)benzene
CAS No: 1233955-77-5 Catalog No: AG01FB70 MDL No:
Product Description
Catalog Number:
AG01FB70
Chemical Name:
4-Fluoro-2-nitro-1-(pentan-3-yloxy)benzene
CAS Number:
1233955-77-5
Molecular Formula:
C11H14FNO3
Molecular Weight:
227.2322
IUPAC Name:
4-fluoro-2-nitro-1-pentan-3-yloxybenzene
InChI:
InChI=1S/C11H14FNO3/c1-3-9(4-2)16-11-6-5-8(12)7-10(11)13(14)15/h5-7,9H,3-4H2,1-2H3
InChI Key:
VTFZQPSLPLOWDG-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccc(cc1[N+](=O)[O-])F)CC
Properties
Complexity:
228
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:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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