1,2,4-tribromo-5-ethenylbenzene

C8H5Br3 — CID 11013257

IUPAC1,2,4-tribromo-5-ethenylbenzene
SMILESC=Cc1cc(Br)c(Br)cc1Br
InChIInChI=1S/C8H5Br3/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2
InChIKeyZFYXTBYFHIVKEC-UHFFFAOYSA-N
MW340.84 g/mol
LogP4.62
Rot. Bonds1

About 1,2,4-tribromo-5-ethenylbenzene

1,2,4-tribromo-5-ethenylbenzene (PubChem CID 11013257) has the molecular formula C8H5Br3 and a molecular weight of 340.84 g/mol. Its IUPAC name is 1,2,4-tribromo-5-ethenylbenzene.

Molecular Properties

Compound Name1,2,4-tribromo-5-ethenylbenzene
PubChem CID11013257
Molecular FormulaC8H5Br3
Molecular Weight340.84 g/mol
Exact Mass337.79
IUPAC Name1,2,4-tribromo-5-ethenylbenzene
SMILESC=Cc1cc(Br)c(Br)cc1Br
InChIInChI=1S/C8H5Br3/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2
InChIKeyZFYXTBYFHIVKEC-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-tribromo-5-ethenylbenzene?
The IUPAC name of 1,2,4-tribromo-5-ethenylbenzene (CID 11013257) is 1,2,4-tribromo-5-ethenylbenzene.
What is the SMILES notation for 1,2,4-tribromo-5-ethenylbenzene?
The canonical SMILES for 1,2,4-tribromo-5-ethenylbenzene is C=Cc1cc(Br)c(Br)cc1Br.
What is the InChIKey of 1,2,4-tribromo-5-ethenylbenzene?
The InChIKey is ZFYXTBYFHIVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2.
What are the key properties of 1,2,4-tribromo-5-ethenylbenzene?
1,2,4-tribromo-5-ethenylbenzene has a molecular weight of 340.84 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tribromo-5-ethenylbenzene is sourced from PubChem (CID 11013257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).