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Home > Fluorides > 1314987-41-1
1314987-41-1 | Benzene, 4-fluoro-2-(1-methylbutoxy)-1-nitro-
CAS No: 1314987-41-1 Catalog No: AG000WD2 MDL No:MFCD19684095
Product Description
Catalog Number:
AG000WD2
Chemical Name:
Benzene, 4-fluoro-2-(1-methylbutoxy)-1-nitro-
CAS Number:
1314987-41-1
Molecular Formula:
C11H14FNO3
Molecular Weight:
227.2322
MDL Number:
MFCD19684095
IUPAC Name:
4-fluoro-1-nitro-2-pentan-2-yloxybenzene
InChI:
InChI=1S/C11H14FNO3/c1-3-4-8(2)16-11-7-9(12)5-6-10(11)13(14)15/h5-8H,3-4H2,1-2H3
InChI Key:
DMGXWZCNPSMBQT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1OC(CCC)C)F
Properties
Complexity:
232
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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