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3,4-Dichlorophenylboronic Acid extrapure, 97%

CAT: 0565-93611-01Size: 1 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
151169-75-4
Storage Temperature
Room Temperature

Chemical Information

3,4-Dichlorobenzeneboronic acid
CAS Number151169-75-4
PubChem CID2734330
IUPAC Name(3,4-dichlorophenyl)boronic acid
Molecular FormulaC6H5BCl2O2
Molecular Weight190.82
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
B(C1=CC(=C(C=C1)Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChIKey
JKIGHOARKAIPJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dichlorobenzeneboronic acid
CAS: 151169-75-4
CID: 2734330
Formula: C6H5BCl2O2
MW: 190.82
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.9759650
Monoisotopic Mass189.9759650
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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