bis(2-bromoethyl) hydrogen phosphite

C4H9Br2O3P — CID 54483463

IUPACbis(2-bromoethyl) hydrogen phosphite
SMILESOP(OCCBr)OCCBr
InChIInChI=1S/C4H9Br2O3P/c5-1-3-8-10(7)9-4-2-6/h7H,1-4H2
InChIKeyXQQRMYOLLFKWLZ-UHFFFAOYSA-N
MW295.90 g/mol
LogP2.03
Rot. Bonds6

About bis(2-bromoethyl) hydrogen phosphite

bis(2-bromoethyl) hydrogen phosphite (PubChem CID 54483463) has the molecular formula C4H9Br2O3P and a molecular weight of 295.90 g/mol. Its IUPAC name is bis(2-bromoethyl) hydrogen phosphite.

Molecular Properties

Compound Namebis(2-bromoethyl) hydrogen phosphite
PubChem CID54483463
Molecular FormulaC4H9Br2O3P
Molecular Weight295.90 g/mol
Exact Mass293.87
IUPAC Namebis(2-bromoethyl) hydrogen phosphite
SMILESOP(OCCBr)OCCBr
InChIInChI=1S/C4H9Br2O3P/c5-1-3-8-10(7)9-4-2-6/h7H,1-4H2
InChIKeyXQQRMYOLLFKWLZ-UHFFFAOYSA-N
XLogP2.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.90
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-bromoethyl) hydrogen phosphite?
The IUPAC name of bis(2-bromoethyl) hydrogen phosphite (CID 54483463) is bis(2-bromoethyl) hydrogen phosphite.
What is the SMILES notation for bis(2-bromoethyl) hydrogen phosphite?
The canonical SMILES for bis(2-bromoethyl) hydrogen phosphite is OP(OCCBr)OCCBr.
What is the InChIKey of bis(2-bromoethyl) hydrogen phosphite?
The InChIKey is XQQRMYOLLFKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Br2O3P/c5-1-3-8-10(7)9-4-2-6/h7H,1-4H2.
What are the key properties of bis(2-bromoethyl) hydrogen phosphite?
bis(2-bromoethyl) hydrogen phosphite has a molecular weight of 295.90 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromoethyl) hydrogen phosphite is sourced from PubChem (CID 54483463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).