1,2-dibromo-3-chloropropane

C3H5Br2Cl — CID 7280

IUPAC1,2-dibromo-3-chloropropane
SMILESClCC(Br)CBr
InChIInChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
InChIKeyWBEJYOJJBDISQU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.38
Rot. Bonds2

About 1,2-dibromo-3-chloropropane

1,2-dibromo-3-chloropropane (PubChem CID 7280) has the molecular formula C3H5Br2Cl and a molecular weight of 236.33 g/mol. Its IUPAC name is 1,2-dibromo-3-chloropropane.

Molecular Properties

Compound Name1,2-dibromo-3-chloropropane
PubChem CID7280
Molecular FormulaC3H5Br2Cl
Molecular Weight236.33 g/mol
Exact Mass233.84
IUPAC Name1,2-dibromo-3-chloropropane
SMILESClCC(Br)CBr
InChIInChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
InChIKeyWBEJYOJJBDISQU-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.38
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 1,2-dibromo-3-chloropropane?
The IUPAC name of 1,2-dibromo-3-chloropropane (CID 7280) is 1,2-dibromo-3-chloropropane.
What is the SMILES notation for 1,2-dibromo-3-chloropropane?
The canonical SMILES for 1,2-dibromo-3-chloropropane is ClCC(Br)CBr.
What is the InChIKey of 1,2-dibromo-3-chloropropane?
The InChIKey is WBEJYOJJBDISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2.
What are the key properties of 1,2-dibromo-3-chloropropane?
1,2-dibromo-3-chloropropane has a molecular weight of 236.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-chloropropane is sourced from PubChem (CID 7280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).