dichloro-(4-ethylphenyl)borane

C8H9BCl2 — CID 131853911

IUPACdichloro-(4-ethylphenyl)borane
SMILESCCc1ccc(B(Cl)Cl)cc1
InChIInChI=1S/C8H9BCl2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChIKeyNDVKSIWTKWYIMO-UHFFFAOYSA-N
MW186.88 g/mol
LogP2.42
Rot. Bonds2

About dichloro-(4-ethylphenyl)borane

dichloro-(4-ethylphenyl)borane (PubChem CID 131853911) has the molecular formula C8H9BCl2 and a molecular weight of 186.88 g/mol. Its IUPAC name is dichloro-(4-ethylphenyl)borane.

Molecular Properties

Compound Namedichloro-(4-ethylphenyl)borane
PubChem CID131853911
Molecular FormulaC8H9BCl2
Molecular Weight186.88 g/mol
Exact Mass186.02
IUPAC Namedichloro-(4-ethylphenyl)borane
SMILESCCc1ccc(B(Cl)Cl)cc1
InChIInChI=1S/C8H9BCl2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChIKeyNDVKSIWTKWYIMO-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.88
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-(4-ethylphenyl)borane?
The IUPAC name of dichloro-(4-ethylphenyl)borane (CID 131853911) is dichloro-(4-ethylphenyl)borane.
What is the SMILES notation for dichloro-(4-ethylphenyl)borane?
The canonical SMILES for dichloro-(4-ethylphenyl)borane is CCc1ccc(B(Cl)Cl)cc1.
What is the InChIKey of dichloro-(4-ethylphenyl)borane?
The InChIKey is NDVKSIWTKWYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BCl2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3.
What are the key properties of dichloro-(4-ethylphenyl)borane?
dichloro-(4-ethylphenyl)borane has a molecular weight of 186.88 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(4-ethylphenyl)borane is sourced from PubChem (CID 131853911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).