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2,3,4-Trichlorophenylboronic Acid

CAT: 0572-TRC-T896245-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T896245-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
352530-21-3
Hazard Statement
Causes serious eye damage.
Purity
>95% (HPLC)
Smiles
OB(O)c1ccc(Cl)c(Cl)c1Cl
Molecular Formula
C6H4BCl3O2
Molecular Weight
225.26
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,3,4-Trichlorophenylboronic acid
CAS Number352530-21-3
PubChem CID4192673
IUPAC Name(2,3,4-trichlorophenyl)boronic acid
Molecular FormulaC6H4BCl3O2
Molecular Weight225.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity158
SMILES
B(C1=C(C(=C(C=C1)Cl)Cl)Cl)(O)O
InChI
InChI=1S/C6H4BCl3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H
InChIKey
MXFWEDVDGXOVRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trichlorophenylboronic acid
CAS: 352530-21-3
CID: 4192673
Formula: C6H4BCl3O2
MW: 225.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass223.936993
Monoisotopic Mass223.936993
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity158
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-298593A2,3,4-Trichlorophenylboronic acid
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212779-19-6-012,3,5-Trichlorophenylboronic acid
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