(2-bromophenyl)phosphane;ethane

C8H12BrP — CID 91051299

IUPAC(2-bromophenyl)phosphane;ethane
SMILESCC.Pc1ccccc1Br
InChIInChI=1S/C6H6BrP.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h1-4H,8H2;1-2H3
InChIKeySOZHGVYOLXWSCF-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.98
Rot. Bonds

About (2-bromophenyl)phosphane;ethane

(2-bromophenyl)phosphane;ethane (PubChem CID 91051299) has the molecular formula C8H12BrP and a molecular weight of 219.06 g/mol. Its IUPAC name is (2-bromophenyl)phosphane;ethane.

Molecular Properties

Compound Name(2-bromophenyl)phosphane;ethane
PubChem CID91051299
Molecular FormulaC8H12BrP
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name(2-bromophenyl)phosphane;ethane
SMILESCC.Pc1ccccc1Br
InChIInChI=1S/C6H6BrP.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h1-4H,8H2;1-2H3
InChIKeySOZHGVYOLXWSCF-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)phosphane;ethane?
The IUPAC name of (2-bromophenyl)phosphane;ethane (CID 91051299) is (2-bromophenyl)phosphane;ethane.
What is the SMILES notation for (2-bromophenyl)phosphane;ethane?
The canonical SMILES for (2-bromophenyl)phosphane;ethane is CC.Pc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)phosphane;ethane?
The InChIKey is SOZHGVYOLXWSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrP.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h1-4H,8H2;1-2H3.
What are the key properties of (2-bromophenyl)phosphane;ethane?
(2-bromophenyl)phosphane;ethane has a molecular weight of 219.06 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)phosphane;ethane is sourced from PubChem (CID 91051299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).