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1443328-23-1 | 2-n-Butoxy-4-fluorobenzoic acid
CAS No: 1443328-23-1 Catalog No: AG01FEX0 MDL No:
Product Description
Catalog Number:
AG01FEX0
Chemical Name:
2-n-Butoxy-4-fluorobenzoic acid
CAS Number:
1443328-23-1
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
IUPAC Name:
2-butoxy-4-fluorobenzoic acid
InChI:
InChI=1S/C11H13FO3/c1-2-3-6-15-10-7-8(12)4-5-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
ADAYQITUHNBTJQ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(F)ccc1C(=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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