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Home > Fluorides > 123843-54-9
123843-54-9 | Benzoic acid, 4-butoxy-2-fluoro-
CAS No: 123843-54-9 Catalog No: AG000L5W MDL No:
Product Description
Catalog Number:
AG000L5W
Chemical Name:
Benzoic acid, 4-butoxy-2-fluoro-
CAS Number:
123843-54-9
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
IUPAC Name:
4-butoxy-2-fluorobenzoic acid
InChI:
InChI=1S/C11H13FO3/c1-2-3-6-15-8-4-5-9(11(13)14)10(12)7-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
FDDUDQLEOGNYIT-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)F)C(=O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.22g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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