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4-Fluoro-2-methylbenzoic acid

CAT: 0013-GTR19251291-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251291-01Size:200 mg
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Description
4-Fluoro-2-methylbenzoic acid
CAS Number
321-21-1
Smiles
CC1=C (C=CC (F) =C1) C (O) =O
Molecular Formula
C8H7FO2
Molecular Weight
154.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Fluoro-2-methylbenzoic acid
CAS Number321-21-1
PubChem CID3860639
IUPAC Name4-fluoro-2-methylbenzoic acid
Molecular FormulaC8H7FO2
Molecular Weight154.14
XLogP1.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CC1=C(C=CC(=C1)F)C(=O)O
InChI
InChI=1S/C8H7FO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
KDXOONIQRUZGSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-2-methylbenzoic acid
CAS: 321-21-1
CID: 3860639
Formula: C8H7FO2
MW: 154.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.14
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass154.04300762
Monoisotopic Mass154.04300762
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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