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Compound Fr14079

CAT: 0931-Fr14079-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14079-01Size:200 mg
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CAS Number
33184-16-6
Purity
0.9921
Bioactivity
Compound Fr14079, with CAS No. 33184-16-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14079 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1=C(C=C(F)C=C1)C(O)=O
Molecular Formula
C8H7FO2
Molecular Weight
154.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Fluoro-2-methylbenzoic acid
CAS Number33184-16-6
PubChem CID182114
IUPAC Name5-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=C(C=C1)F)C(=O)O
InChI
InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
JVBLXLBINTYFPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2-methylbenzoic acid
CAS: 33184-16-6
CID: 182114
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

Related Products

CatalogName
Fr14074-01Compound Fr14074
Fr14039-01Compound Fr14039
Fr14479-01Compound Fr14479
Fr14099-01Compound Fr14099
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Fr14072-01Compound Fr14072
Fr14049-01Compound Fr14049
Fr14089-01Compound Fr14089
Fr14069-01Compound Fr14069
Fr14071-01Compound Fr14071

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