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1443336-70-6 | 3-n-Butoxy-4-fluorobenzoic acid
CAS No: 1443336-70-6 Catalog No: AG01FEX7 MDL No:
Product Description
Catalog Number:
AG01FEX7
Chemical Name:
3-n-Butoxy-4-fluorobenzoic acid
CAS Number:
1443336-70-6
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
IUPAC Name:
3-butoxy-4-fluorobenzoic acid
InChI:
InChI=1S/C11H13FO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
JHOFIGXVHKITBR-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1F)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:
3
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