2,3-dibromo-1,2,4-trichlorobutane

C4H5Br2Cl3 — CID 13449704

IUPAC2,3-dibromo-1,2,4-trichlorobutane
SMILESClCC(Br)C(Cl)(Br)CCl
InChIInChI=1S/C4H5Br2Cl3/c5-3(1-7)4(6,9)2-8/h3H,1-2H2
InChIKeyABYDZNGBUMWUPB-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.56
Rot. Bonds3

About 2,3-dibromo-1,2,4-trichlorobutane

2,3-dibromo-1,2,4-trichlorobutane (PubChem CID 13449704) has the molecular formula C4H5Br2Cl3 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2,3-dibromo-1,2,4-trichlorobutane.

Molecular Properties

Compound Name2,3-dibromo-1,2,4-trichlorobutane
PubChem CID13449704
Molecular FormulaC4H5Br2Cl3
Molecular Weight319.25 g/mol
Exact Mass315.78
IUPAC Name2,3-dibromo-1,2,4-trichlorobutane
SMILESClCC(Br)C(Cl)(Br)CCl
InChIInChI=1S/C4H5Br2Cl3/c5-3(1-7)4(6,9)2-8/h3H,1-2H2
InChIKeyABYDZNGBUMWUPB-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,2,4-trichlorobutane?
The IUPAC name of 2,3-dibromo-1,2,4-trichlorobutane (CID 13449704) is 2,3-dibromo-1,2,4-trichlorobutane.
What is the SMILES notation for 2,3-dibromo-1,2,4-trichlorobutane?
The canonical SMILES for 2,3-dibromo-1,2,4-trichlorobutane is ClCC(Br)C(Cl)(Br)CCl.
What is the InChIKey of 2,3-dibromo-1,2,4-trichlorobutane?
The InChIKey is ABYDZNGBUMWUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br2Cl3/c5-3(1-7)4(6,9)2-8/h3H,1-2H2.
What are the key properties of 2,3-dibromo-1,2,4-trichlorobutane?
2,3-dibromo-1,2,4-trichlorobutane has a molecular weight of 319.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,2,4-trichlorobutane is sourced from PubChem (CID 13449704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).