bromo chloro prop-2-enyl phosphate

C3H5BrClO4P — CID 174522074

IUPACbromo chloro prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCl)OBr
InChIInChI=1S/C3H5BrClO4P/c1-2-3-7-10(6,8-4)9-5/h2H,1,3H2
InChIKeyGLCZGDZMIVDNLO-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.79
Rot. Bonds5

About bromo chloro prop-2-enyl phosphate

bromo chloro prop-2-enyl phosphate (PubChem CID 174522074) has the molecular formula C3H5BrClO4P and a molecular weight of 251.40 g/mol. Its IUPAC name is bromo chloro prop-2-enyl phosphate.

Molecular Properties

Compound Namebromo chloro prop-2-enyl phosphate
PubChem CID174522074
Molecular FormulaC3H5BrClO4P
Molecular Weight251.40 g/mol
Exact Mass249.88
IUPAC Namebromo chloro prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCl)OBr
InChIInChI=1S/C3H5BrClO4P/c1-2-3-7-10(6,8-4)9-5/h2H,1,3H2
InChIKeyGLCZGDZMIVDNLO-UHFFFAOYSA-N
XLogP2.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bromo chloro prop-2-enyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromo chloro prop-2-enyl phosphate?
The IUPAC name of bromo chloro prop-2-enyl phosphate (CID 174522074) is bromo chloro prop-2-enyl phosphate.
What is the SMILES notation for bromo chloro prop-2-enyl phosphate?
The canonical SMILES for bromo chloro prop-2-enyl phosphate is C=CCOP(=O)(OCl)OBr.
What is the InChIKey of bromo chloro prop-2-enyl phosphate?
The InChIKey is GLCZGDZMIVDNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrClO4P/c1-2-3-7-10(6,8-4)9-5/h2H,1,3H2.
What are the key properties of bromo chloro prop-2-enyl phosphate?
bromo chloro prop-2-enyl phosphate has a molecular weight of 251.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo chloro prop-2-enyl phosphate is sourced from PubChem (CID 174522074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).