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4-Fluoro-2-methoxyphenol

CAT: 0931-T7246-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7246-01Size:50 mg
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CAS Number
450-93-1
Purity
0.9944
Bioactivity
4-Fluoro-2-methoxyphenol, with CAS No. 450-93-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4-Fluoro-2-methoxyphenol 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=CC(F)=CC=C1O
Molecular Formula
C7H7FO2
Molecular Weight
142.129
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Fluoro-2-methoxyphenol

structure given in first source

CAS Number450-93-1
PubChem CID2737368
IUPAC Name4-fluoro-2-methoxyphenol
Molecular FormulaC7H7FO2
Molecular Weight142.13
XLogP0.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
COC1=C(C=CC(=C1)F)O
InChI
InChI=1S/C7H7FO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey
OULGLTLTWBZBLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-2-methoxyphenol
CAS: 450-93-1
CID: 2737368
Formula: C7H7FO2
MW: 142.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.13
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass142.04300762
Monoisotopic Mass142.04300762
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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
4-Fluoro-2-methoxyphenol | 0931-T7246-01 | Gentaur