1,2-dibromoethene;ethene;hydrochloride

C4H7Br2Cl — CID 174864121

IUPAC1,2-dibromoethene;ethene;hydrochloride
SMILESBrC=CBr.C=C.Cl
InChIInChI=1S/C2H2Br2.C2H4.ClH/c3-1-2-4;1-2;/h1-2H;1-2H2;1H
InChIKeyATDITNSSFOMZSR-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds

About 1,2-dibromoethene;ethene;hydrochloride

1,2-dibromoethene;ethene;hydrochloride (PubChem CID 174864121) has the molecular formula C4H7Br2Cl and a molecular weight of 250.36 g/mol. Its IUPAC name is 1,2-dibromoethene;ethene;hydrochloride.

Molecular Properties

Compound Name1,2-dibromoethene;ethene;hydrochloride
PubChem CID174864121
Molecular FormulaC4H7Br2Cl
Molecular Weight250.36 g/mol
Exact Mass247.86
IUPAC Name1,2-dibromoethene;ethene;hydrochloride
SMILESBrC=CBr.C=C.Cl
InChIInChI=1S/C2H2Br2.C2H4.ClH/c3-1-2-4;1-2;/h1-2H;1-2H2;1H
InChIKeyATDITNSSFOMZSR-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoethene;ethene;hydrochloride?
The IUPAC name of 1,2-dibromoethene;ethene;hydrochloride (CID 174864121) is 1,2-dibromoethene;ethene;hydrochloride.
What is the SMILES notation for 1,2-dibromoethene;ethene;hydrochloride?
The canonical SMILES for 1,2-dibromoethene;ethene;hydrochloride is BrC=CBr.C=C.Cl.
What is the InChIKey of 1,2-dibromoethene;ethene;hydrochloride?
The InChIKey is ATDITNSSFOMZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Br2.C2H4.ClH/c3-1-2-4;1-2;/h1-2H;1-2H2;1H.
What are the key properties of 1,2-dibromoethene;ethene;hydrochloride?
1,2-dibromoethene;ethene;hydrochloride has a molecular weight of 250.36 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethene;ethene;hydrochloride is sourced from PubChem (CID 174864121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).