1,2,4-tribromobenzene

C6H3Br3 — CID 12002

IUPAC1,2,4-tribromobenzene
SMILESBrc1ccc(Br)c(Br)c1
InChIInChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyFWAJPSIPOULHHH-UHFFFAOYSA-N
MW314.80 g/mol
LogP3.97
Rot. Bonds

About 1,2,4-tribromobenzene

1,2,4-tribromobenzene (PubChem CID 12002) has the molecular formula C6H3Br3 and a molecular weight of 314.80 g/mol. Its IUPAC name is 1,2,4-tribromobenzene.

Molecular Properties

Compound Name1,2,4-tribromobenzene
PubChem CID12002
Molecular FormulaC6H3Br3
Molecular Weight314.80 g/mol
Exact Mass311.78
IUPAC Name1,2,4-tribromobenzene
SMILESBrc1ccc(Br)c(Br)c1
InChIInChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyFWAJPSIPOULHHH-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 53.97
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-tribromobenzene?
The IUPAC name of 1,2,4-tribromobenzene (CID 12002) is 1,2,4-tribromobenzene.
What is the SMILES notation for 1,2,4-tribromobenzene?
The canonical SMILES for 1,2,4-tribromobenzene is Brc1ccc(Br)c(Br)c1.
What is the InChIKey of 1,2,4-tribromobenzene?
The InChIKey is FWAJPSIPOULHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H.
What are the key properties of 1,2,4-tribromobenzene?
1,2,4-tribromobenzene has a molecular weight of 314.80 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tribromobenzene is sourced from PubChem (CID 12002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).