1,2,3,5-tetrabromobenzene

C6H2Br4 — CID 12467

IUPAC1,2,3,5-tetrabromobenzene
SMILESBrc1cc(Br)c(Br)c(Br)c1
InChIInChI=1S/C6H2Br4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyYPFCYPZKFQPCOC-UHFFFAOYSA-N
MW393.70 g/mol
LogP4.74
Rot. Bonds

About 1,2,3,5-tetrabromobenzene

1,2,3,5-tetrabromobenzene (PubChem CID 12467) has the molecular formula C6H2Br4 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1,2,3,5-tetrabromobenzene.

Molecular Properties

Compound Name1,2,3,5-tetrabromobenzene
PubChem CID12467
Molecular FormulaC6H2Br4
Molecular Weight393.70 g/mol
Exact Mass389.69
IUPAC Name1,2,3,5-tetrabromobenzene
SMILESBrc1cc(Br)c(Br)c(Br)c1
InChIInChI=1S/C6H2Br4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyYPFCYPZKFQPCOC-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.70
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,5-tetrabromobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrabromobenzene?
The IUPAC name of 1,2,3,5-tetrabromobenzene (CID 12467) is 1,2,3,5-tetrabromobenzene.
What is the SMILES notation for 1,2,3,5-tetrabromobenzene?
The canonical SMILES for 1,2,3,5-tetrabromobenzene is Brc1cc(Br)c(Br)c(Br)c1.
What is the InChIKey of 1,2,3,5-tetrabromobenzene?
The InChIKey is YPFCYPZKFQPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H.
What are the key properties of 1,2,3,5-tetrabromobenzene?
1,2,3,5-tetrabromobenzene has a molecular weight of 393.70 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrabromobenzene is sourced from PubChem (CID 12467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).