Products for Research Use Only
RegisterLogin

3-FLUORO-2-METHOXYBENZOIC ACID

CAT: 0931-Fr213059-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr213059-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
106428-05-1
Bioactivity
3-FLUORO-2-METHOXYBENZOIC ACID, with CAS No. 106428-05-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 3-FLUORO-2-METHOXYBENZOIC ACID 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
COC1=C(C=CC=C1F)C(O)=O
Molecular Formula
C8H7FO3
Molecular Weight
170.139
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Fluoro-2-methoxybenzoic acid
CAS Number106428-05-1
PubChem CID2737361
IUPAC Name3-fluoro-2-methoxybenzoic acid
Molecular FormulaC8H7FO3
Molecular Weight170.14
XLogP1.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
COC1=C(C=CC=C1F)C(=O)O
InChI
InChI=1S/C8H7FO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11)
InChIKey
MEOOXZGGYVXUSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoro-2-methoxybenzoic acid
CAS: 106428-05-1
CID: 2737361
Formula: C8H7FO3
MW: 170.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.14
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass170.03792224
Monoisotopic Mass170.03792224
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
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
T5982-013-Methoxybenzoic acid
T5874-012-Methoxybenzoic acid
TN2704-012,3-Dihydroxy-4-methoxybenzoic acid
TN27632-Hydroxy-3-methoxybenzoic acid glucose ester
T59172-Hydroxy-6-methoxybenzoic acid
TN29353-Geranyl-4-methoxybenzoic acid
TYD-00396-014-Amino-3-methoxybenzoic acid
T2A2428-012-Hydroxy-4-methoxybenzoic acid
Fr12564-015-Chloro-2-methoxybenzoic acid
TN72233,5-Dibromo-4-methoxybenzoic acid

Alternative Products

CatalogName
sc-260916A3-Fluoro-2-methoxybenzoic acid
417693-012-Fluoro-3-methoxybenzoic acid
PC10256552-Fluoro-3-methoxybenzoic acid hydrazide
FF66821-014-Fluoro-3-methoxybenzoic acid
sc-2544733-Fluoro-4-methoxybenzoic acid
sc-2609703-Fluoro-5-methoxybenzoic acid
432289-014-Fluoro-2-methoxybenzoic acid
418000-012-Fluoro-6-methoxybenzoic acid
417816-012-Fluoro-4-methoxybenzoic acid
PC0292-015-Fluoro-2-methoxybenzoic acid

Popular Products