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2- (2,5-Difluorophenoxy) acetic acid

CAT: 0926-AAA36656-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-AAA36656-01Size:1 g
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CAS Number
366-56-3
MDL Number
MFCD06823826
Smiles
C1=CC (=C (C=C1F) OCC (=O) O) F
Molecular Formula
C8H6F2O3
Molecular Weight
188.13 g/mol
Controlled
No

Chemical Information

2-(2,5-Difluorophenoxy)acetic acid
CAS Number366-56-3
PubChem CID50990571
IUPAC Name2-(2,5-difluorophenoxy)acetic acid
Molecular FormulaC8H6F2O3
Molecular Weight188.13
XLogP1.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
C1=CC(=C(C=C1F)OCC(=O)O)F
InChI
InChI=1S/C8H6F2O3/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
NLVMDNXMYYNPTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,5-Difluorophenoxy)acetic acid
CAS: 366-56-3
CID: 50990571
Formula: C8H6F2O3
MW: 188.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.13
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass188.02850037
Monoisotopic Mass188.02850037
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
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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Alternative Products

CatalogName
PC907340-012- (2,5-Difluorophenoxy) acetic acid
PC111834-012- (3,5-Difluorophenoxy) acetic acid
sc-283405(2,4-difluorophenoxy) acetic acid
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TRC-D363450-500MG2-(2,6-Difluorophenoxy)acetic Acid
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PC911122-01(3,4-Difluorophenoxy) acetic acid
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