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2,4-Difluorobenzoic acid

CAT: 0013-GTR19246232-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246232-01Size:25 g
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Description
2,4-Difluorobenzoic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
1583-58-0
Smiles
FC1=CC (F) =C (C (O) =O) C=C1
Molecular Formula
C7H4F2O2
Molecular Weight
158.1023
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,4-Difluorobenzoic acid
CAS Number1583-58-0
PubChem CID74102
IUPAC Name2,4-difluorobenzoic acid
Molecular FormulaC7H4F2O2
Molecular Weight158.10
XLogP1.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
C1=CC(=C(C=C1F)F)C(=O)O
InChI
InChI=1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
NJYBIFYEWYWYAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluorobenzoic acid
CAS: 1583-58-0
CID: 74102
Formula: C7H4F2O2
MW: 158.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.10
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass158.01793569
Monoisotopic Mass158.01793569
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
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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