bis(2-chlorophenyl)-prop-1-en-2-ylborane

C15H13BCl2 — CID 67927001

IUPACbis(2-chlorophenyl)-prop-1-en-2-ylborane
SMILESC=C(C)B(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H13BCl2/c1-11(2)16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18/h3-10H,1H2,2H3
InChIKeyWEVDQLOASOHJBQ-UHFFFAOYSA-N
MW274.99 g/mol
LogP3.72
Rot. Bonds3

About bis(2-chlorophenyl)-prop-1-en-2-ylborane

bis(2-chlorophenyl)-prop-1-en-2-ylborane (PubChem CID 67927001) has the molecular formula C15H13BCl2 and a molecular weight of 274.99 g/mol. Its IUPAC name is bis(2-chlorophenyl)-prop-1-en-2-ylborane.

Molecular Properties

Compound Namebis(2-chlorophenyl)-prop-1-en-2-ylborane
PubChem CID67927001
Molecular FormulaC15H13BCl2
Molecular Weight274.99 g/mol
Exact Mass274.05
IUPAC Namebis(2-chlorophenyl)-prop-1-en-2-ylborane
SMILESC=C(C)B(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H13BCl2/c1-11(2)16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18/h3-10H,1H2,2H3
InChIKeyWEVDQLOASOHJBQ-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.99
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Chlorobenzene
CID 7964
Tris(4-chlorophenyl)phosphine
CID 70874
Feniodium Chloride
CID 36854
Bis(p-chlorophenyl) diselenide
CID 88583
Tris(3-chlorophenyl)phosphine
CID 121600
Chloro(2H5)benzene
CID 575975
Tris(4-chlorophenyl)fluorostannane
CID 99259
Methyltris(4-chlorophenyl)phosphonium iodide
CID 2778284
Tributyl(4-chlorophenyl)stannane
CID 11112179
(4-Chlorophenyl)-phenylborinic acid
CID 71660116
Tris(p-chlorophenyl)stibine
CID 244785
Stannane, (4-chlorophenyl)trimethyl-
CID 139674

Frequently Asked Questions

What is the IUPAC name of bis(2-chlorophenyl)-prop-1-en-2-ylborane?
The IUPAC name of bis(2-chlorophenyl)-prop-1-en-2-ylborane (CID 67927001) is bis(2-chlorophenyl)-prop-1-en-2-ylborane.
What is the SMILES notation for bis(2-chlorophenyl)-prop-1-en-2-ylborane?
The canonical SMILES for bis(2-chlorophenyl)-prop-1-en-2-ylborane is C=C(C)B(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of bis(2-chlorophenyl)-prop-1-en-2-ylborane?
The InChIKey is WEVDQLOASOHJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BCl2/c1-11(2)16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18/h3-10H,1H2,2H3.
What are the key properties of bis(2-chlorophenyl)-prop-1-en-2-ylborane?
bis(2-chlorophenyl)-prop-1-en-2-ylborane has a molecular weight of 274.99 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorophenyl)-prop-1-en-2-ylborane is sourced from PubChem (CID 67927001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).