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445026-29-9 | 3-Ethoxy-4-fluorobenzoic acid
CAS No: 445026-29-9 Catalog No: AG01EW11 MDL No:
Product Description
Catalog Number:
AG01EW11
Chemical Name:
3-Ethoxy-4-fluorobenzoic acid
CAS Number:
445026-29-9
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
IUPAC Name:
3-ethoxy-4-fluorobenzoic acid
InChI:
InChI=1S/C9H9FO3/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
PBSYMJHUGMYAIJ-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1F)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:
2.1
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