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1443350-18-2 | 3-iso-Butoxy-5-fluorobenzoic acid
CAS No: 1443350-18-2 Catalog No: AG01FEHA MDL No:
Product Description
Catalog Number:
AG01FEHA
Chemical Name:
3-iso-Butoxy-5-fluorobenzoic acid
CAS Number:
1443350-18-2
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
IUPAC Name:
3-fluoro-5-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H13FO3/c1-7(2)6-15-10-4-8(11(13)14)3-9(12)5-10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
OVKCZPSWSRIZGY-UHFFFAOYSA-N
SMILES:
CC(COc1cc(F)cc(c1)C(=O)O)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:
2.9
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