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3-Fluoro-2-hydroxy-6-methylanisole

CAT: 0127-PC1012706-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1012706-01Size:250 mg
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CAS Number
1780657-91-1
MDL Number
MFCD22415073
Purity
95%
Smiles
C1 (ccc (c (c1OC) O) F) C

Chemical Information

3-Fluoro-2-hydroxy-6-methylanisole
CAS Number1780657-91-1
PubChem CID84650347
IUPAC Name6-fluoro-2-methoxy-3-methylphenol
Molecular FormulaC8H9FO2
Molecular Weight156.15
XLogP2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity129
SMILES
CC1=C(C(=C(C=C1)F)O)OC
InChI
InChI=1S/C8H9FO2/c1-5-3-4-6(9)7(10)8(5)11-2/h3-4,10H,1-2H3
InChIKey
OEECKPXVHPXMGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoro-2-hydroxy-6-methylanisole
CAS: 1780657-91-1
CID: 84650347
Formula: C8H9FO2
MW: 156.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.15
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass156.05865769
Monoisotopic Mass156.05865769
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity129
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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Alternative Products

CatalogName
sc-2999866-Chloro-2-fluoro-3-methylanisole
sc-298387A2-Chloro-6-fluoro-3-methylanisole
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sc-2748342-Fluoro-4-methylanisole
sc-2326994-Fluoro-3-methylanisole
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sc-2303112-Fluoro-5-methylanisole
sc-2662002,6-Difluoro-3-methylanisole
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