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2-Ethoxy-6-fluorophenylboronic acid

CAT: 0024-sc-288104Size: 1 gDry Ice: NoHazardous: No
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CAS Number
957062-68-9

Chemical Information

2-Ethoxy-6-fluorophenylboronic acid
CAS Number957062-68-9
PubChem CID16217469
IUPAC Name(2-ethoxy-6-fluorophenyl)boronic acid
Molecular FormulaC8H10BFO3
Molecular Weight183.97
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity156
SMILES
B(C1=C(C=CC=C1F)OCC)(O)O
InChI
InChI=1S/C8H10BFO3/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5,11-12H,2H2,1H3
InChIKey
HJRTVQOQSGKXOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-6-fluorophenylboronic acid
CAS: 957062-68-9
CID: 16217469
Formula: C8H10BFO3
MW: 183.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass184.0707025
Monoisotopic Mass184.0707025
Topological Polar Surface Area49.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity156
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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