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445-93-2 | 2-Ethoxy-5-fluorobenzoic acid
CAS No: 445-93-2 Catalog No: AG01EW1B MDL No:
Product Description
Catalog Number:
AG01EW1B
Chemical Name:
2-Ethoxy-5-fluorobenzoic acid
CAS Number:
445-93-2
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
IUPAC Name:
2-ethoxy-5-fluorobenzoic acid
InChI:
InChI=1S/C9H9FO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
DQWNXYSDEOYKJX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(=O)O)F
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:
1.8
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