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2-Ethoxy-3-fluorobenzoic acid

CAT: 0926-YZB78746-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YZB78746-01Size:50 mg
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CAS Number
1248787-46-3
MDL Number
MFCD16836018
Smiles
CCOC1=C (C=CC=C1F) C (=O) O
Molecular Formula
C9H9FO3
Molecular Weight
184.16 g/mol
Controlled
No

Chemical Information

2-Ethoxy-3-fluorobenzoic acid
CAS Number1248787-46-3
PubChem CID56828616
IUPAC Name2-ethoxy-3-fluorobenzoic acid
Molecular FormulaC9H9FO3
Molecular Weight184.16
XLogP1.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CCOC1=C(C=CC=C1F)C(=O)O
InChI
InChI=1S/C9H9FO3/c1-2-13-8-6(9(11)12)4-3-5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
InChIKey
SZLUDJWZMVNQHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-3-fluorobenzoic acid
CAS: 1248787-46-3
CID: 56828616
Formula: C9H9FO3
MW: 184.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.16
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass184.05357231
Monoisotopic Mass184.05357231
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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