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Home > Fluorides > 1350539-96-6
1350539-96-6 | 3-Ethoxy-5-fluorobenzoic acid
CAS No: 1350539-96-6 Catalog No: AG01FF60 MDL No:
Product Description
Catalog Number:
AG01FF60
Chemical Name:
3-Ethoxy-5-fluorobenzoic acid
CAS Number:
1350539-96-6
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
IUPAC Name:
3-ethoxy-5-fluorobenzoic acid
InChI:
InChI=1S/C9H9FO3/c1-2-13-8-4-6(9(11)12)3-7(10)5-8/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
SKSZCBYBNKSOFC-UHFFFAOYSA-N
SMILES:
CCOc1cc(F)cc(c1)C(=O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.166g/mol
Monoisotopic Mass:
184.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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