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2,5-Dichlorophenylboronic acid

CAT: 0024-sc-251858Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-251858Size:5 g
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CAS Number
135145-90-3

Chemical Information

2,5-Dichlorobenzeneboronic acid
CAS Number135145-90-3
PubChem CID2773371
IUPAC Name(2,5-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=C(C=CC(=C1)Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChIKey
NNTFPBXQPOQRBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichlorobenzeneboronic acid
CAS: 135145-90-3
CID: 2773371
Formula: C6H5BCl2O2
MW: 190.82
Interactive 3D Structure
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View on PubChemRaw 3D data
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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