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Ethyl 4-fluoro-2-hydroxybenzoate

CAT: 0127-PC300809Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC300809Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1737-21-9
MDL Number
MFCD06205199
Purity
=95%
Smiles
CCOC(=O)c1ccc(F)cc1O

Chemical Information

Ethyl 4-fluoro-2-hydroxybenzoate
CAS Number1737-21-9
PubChem CID22478444
IUPAC Nameethyl 4-fluoro-2-hydroxybenzoate
Molecular FormulaC9H9FO3
Molecular Weight184.16
XLogP3.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CCOC(=O)C1=C(C=C(C=C1)F)O
InChI
InChI=1S/C9H9FO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5,11H,2H2,1H3
InChIKey
SXNJTQFUPJOBMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-fluoro-2-hydroxybenzoate
CAS: 1737-21-9
CID: 22478444
Formula: C9H9FO3
MW: 184.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.16
XLogP33.1
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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