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2- (4-Fluorophenoxy) phenylboronic acid

CAT: 0127-PC412467Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1334402-78-6
MDL Number
MFCD23381044
Purity
=95%
Smiles
OB(O)c1ccccc1Oc2ccc(F)cc2

Chemical Information

2-(4-Fluorophenoxy)phenylboronic acid
CAS Number1334402-78-6
PubChem CID74892345
IUPAC Name[2-(4-fluorophenoxy)phenyl]boronic acid
Molecular FormulaC12H10BFO3
Molecular Weight232.02
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity232
SMILES
B(C1=CC=CC=C1OC2=CC=C(C=C2)F)(O)O
InChI
InChI=1S/C12H10BFO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8,15-16H
InChIKey
DUZUFXCNHAMELI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Fluorophenoxy)phenylboronic acid
CAS: 1334402-78-6
CID: 74892345
Formula: C12H10BFO3
MW: 232.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.02
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass232.0707025
Monoisotopic Mass232.0707025
Topological Polar Surface Area49.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity232
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
429156-014- (4-Fluorophenoxy) phenylboronic acid
428864-014- (3-Fluorophenoxy) phenylboronic Acid
413771-012- (4-Fluorophenoxy) phenylboronic acid
428624-014- (2-Fluorophenoxy) phenylboronic acid
422873-013- (4-Fluorophenoxy) phenylboronic acid
429069-014- (4-Chloro-2-fluorophenoxy) phenylboronic acid
FE22888-014- (Ethoxycarbonyl) phenylboronic acid
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