[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid

C8H7BCl2O2 — CID 81222802

IUPAC[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid
SMILESOB(O)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7BCl2O2/c10-7-3-1-2-6(8(7)11)4-5-9(12)13/h1-5,12-13H/b5-4+
InChIKeyCCGTVBLWJKXOHM-SNAWJCMRSA-N
MW216.86 g/mol
LogP2.02
Rot. Bonds2

About [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid

[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid (PubChem CID 81222802) has the molecular formula C8H7BCl2O2 and a molecular weight of 216.86 g/mol. Its IUPAC name is [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid.

Molecular Properties

Compound Name[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid
PubChem CID81222802
Molecular FormulaC8H7BCl2O2
Molecular Weight216.86 g/mol
Exact Mass215.99
IUPAC Name[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid
SMILESOB(O)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7BCl2O2/c10-7-3-1-2-6(8(7)11)4-5-9(12)13/h1-5,12-13H/b5-4+
InChIKeyCCGTVBLWJKXOHM-SNAWJCMRSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.86
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-(3-chloro-2-sulfanylphenyl)ethenyl]boronic acid
CID 143469227
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CID 2412390
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
5-(2,3-dichlorophenyl)pent-4-en-1-ol
CID 91520067
4-(2,3-dichlorophenyl)but-3-ene-1-thiol
CID 170477864
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
(Z)-3-(2,3-dichlorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305734
3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 3472097

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid?
The IUPAC name of [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid (CID 81222802) is [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid.
What is the SMILES notation for [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid?
The canonical SMILES for [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid is OB(O)/C=C/c1cccc(Cl)c1Cl.
What is the InChIKey of [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid?
The InChIKey is CCGTVBLWJKXOHM-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H7BCl2O2/c10-7-3-1-2-6(8(7)11)4-5-9(12)13/h1-5,12-13H/b5-4+.
What are the key properties of [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid?
[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid has a molecular weight of 216.86 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid is sourced from PubChem (CID 81222802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).