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Home > Fluorides > 1096786-58-1
1096786-58-1 | 2-iso-Butoxy-5-fluorobenzoic acid
CAS No: 1096786-58-1 Catalog No: AG01FEAS MDL No:
Product Description
Catalog Number:
AG01FEAS
Chemical Name:
2-iso-Butoxy-5-fluorobenzoic acid
CAS Number:
1096786-58-1
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
IUPAC Name:
5-fluoro-2-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H13FO3/c1-7(2)6-15-10-4-3-8(12)5-9(10)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
KPXNYPWEMIFBPA-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1C(=O)O)F)C
Properties
Complexity:
218
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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