[2-(3-chlorophenyl)cyclopropyl]boronic acid

C9H10BClO2 — CID 156757957

IUPAC[2-(3-chlorophenyl)cyclopropyl]boronic acid
SMILESOB(O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C9H10BClO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9,12-13H,5H2
InChIKeyGBDXGNBEHMIPLR-UHFFFAOYSA-N
MW196.44 g/mol
LogP1.67
Rot. Bonds2

About [2-(3-chlorophenyl)cyclopropyl]boronic acid

[2-(3-chlorophenyl)cyclopropyl]boronic acid (PubChem CID 156757957) has the molecular formula C9H10BClO2 and a molecular weight of 196.44 g/mol. Its IUPAC name is [2-(3-chlorophenyl)cyclopropyl]boronic acid.

Molecular Properties

Compound Name[2-(3-chlorophenyl)cyclopropyl]boronic acid
PubChem CID156757957
Molecular FormulaC9H10BClO2
Molecular Weight196.44 g/mol
Exact Mass196.05
IUPAC Name[2-(3-chlorophenyl)cyclopropyl]boronic acid
SMILESOB(O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C9H10BClO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9,12-13H,5H2
InChIKeyGBDXGNBEHMIPLR-UHFFFAOYSA-N
XLogP1.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.44
LogP ≤ 51.67
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

1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
2-(3-chlorophenyl)cyclobutan-1-ol
CID 126971921
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol
CID 81415357
2-(3-chlorophenyl)cyclobutane-1-carbaldehyde
CID 105448643
2-(3-chlorophenyl)-4-methyl-6-oxabicyclo[3.1.0]hexane
CID 90346557
2-(3-chlorophenyl)-N-(diaminomethylidene)cyclopropane-1-carboxamide
CID 54429872

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)cyclopropyl]boronic acid?
The IUPAC name of [2-(3-chlorophenyl)cyclopropyl]boronic acid (CID 156757957) is [2-(3-chlorophenyl)cyclopropyl]boronic acid.
What is the SMILES notation for [2-(3-chlorophenyl)cyclopropyl]boronic acid?
The canonical SMILES for [2-(3-chlorophenyl)cyclopropyl]boronic acid is OB(O)C1CC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)cyclopropyl]boronic acid?
The InChIKey is GBDXGNBEHMIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BClO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9,12-13H,5H2.
What are the key properties of [2-(3-chlorophenyl)cyclopropyl]boronic acid?
[2-(3-chlorophenyl)cyclopropyl]boronic acid has a molecular weight of 196.44 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)cyclopropyl]boronic acid is sourced from PubChem (CID 156757957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).