dichloro-[(E)-2-chloro-1-phenylethenyl]borane

C8H6BCl3 — CID 15120187

IUPACdichloro-[(E)-2-chloro-1-phenylethenyl]borane
SMILESCl/C=C(\B(Cl)Cl)c1ccccc1
InChIInChI=1S/C8H6BCl3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyYJHCDWVFFZVZQJ-VURMDHGXSA-N
MW219.31 g/mol
LogP3.77
Rot. Bonds2

About dichloro-[(E)-2-chloro-1-phenylethenyl]borane

dichloro-[(E)-2-chloro-1-phenylethenyl]borane (PubChem CID 15120187) has the molecular formula C8H6BCl3 and a molecular weight of 219.31 g/mol. Its IUPAC name is dichloro-[(E)-2-chloro-1-phenylethenyl]borane.

Molecular Properties

Compound Namedichloro-[(E)-2-chloro-1-phenylethenyl]borane
PubChem CID15120187
Molecular FormulaC8H6BCl3
Molecular Weight219.31 g/mol
Exact Mass217.96
IUPAC Namedichloro-[(E)-2-chloro-1-phenylethenyl]borane
SMILESCl/C=C(\B(Cl)Cl)c1ccccc1
InChIInChI=1S/C8H6BCl3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyYJHCDWVFFZVZQJ-VURMDHGXSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.77
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-[(E)-2-chloro-1-phenylethenyl]borane?
The IUPAC name of dichloro-[(E)-2-chloro-1-phenylethenyl]borane (CID 15120187) is dichloro-[(E)-2-chloro-1-phenylethenyl]borane.
What is the SMILES notation for dichloro-[(E)-2-chloro-1-phenylethenyl]borane?
The canonical SMILES for dichloro-[(E)-2-chloro-1-phenylethenyl]borane is Cl/C=C(\B(Cl)Cl)c1ccccc1.
What is the InChIKey of dichloro-[(E)-2-chloro-1-phenylethenyl]borane?
The InChIKey is YJHCDWVFFZVZQJ-VURMDHGXSA-N. The full InChI is InChI=1S/C8H6BCl3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-6H/b8-6-.
What are the key properties of dichloro-[(E)-2-chloro-1-phenylethenyl]borane?
dichloro-[(E)-2-chloro-1-phenylethenyl]borane has a molecular weight of 219.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(E)-2-chloro-1-phenylethenyl]borane is sourced from PubChem (CID 15120187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).