1,2,5-tribromo-3,4-dichlorobenzene

C6HBr3Cl2 — CID 86016218

IUPAC1,2,5-tribromo-3,4-dichlorobenzene
SMILESClc1c(Br)cc(Br)c(Br)c1Cl
InChIInChI=1S/C6HBr3Cl2/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyIXDIWSKAVVYJPT-UHFFFAOYSA-N
MW383.69 g/mol
LogP5.28
Rot. Bonds

About 1,2,5-tribromo-3,4-dichlorobenzene

1,2,5-tribromo-3,4-dichlorobenzene (PubChem CID 86016218) has the molecular formula C6HBr3Cl2 and a molecular weight of 383.69 g/mol. Its IUPAC name is 1,2,5-tribromo-3,4-dichlorobenzene.

Molecular Properties

Compound Name1,2,5-tribromo-3,4-dichlorobenzene
PubChem CID86016218
Molecular FormulaC6HBr3Cl2
Molecular Weight383.69 g/mol
Exact Mass379.70
IUPAC Name1,2,5-tribromo-3,4-dichlorobenzene
SMILESClc1c(Br)cc(Br)c(Br)c1Cl
InChIInChI=1S/C6HBr3Cl2/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyIXDIWSKAVVYJPT-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.69
LogP ≤ 55.28
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-tribromo-3,4-dichlorobenzene?
The IUPAC name of 1,2,5-tribromo-3,4-dichlorobenzene (CID 86016218) is 1,2,5-tribromo-3,4-dichlorobenzene.
What is the SMILES notation for 1,2,5-tribromo-3,4-dichlorobenzene?
The canonical SMILES for 1,2,5-tribromo-3,4-dichlorobenzene is Clc1c(Br)cc(Br)c(Br)c1Cl.
What is the InChIKey of 1,2,5-tribromo-3,4-dichlorobenzene?
The InChIKey is IXDIWSKAVVYJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr3Cl2/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of 1,2,5-tribromo-3,4-dichlorobenzene?
1,2,5-tribromo-3,4-dichlorobenzene has a molecular weight of 383.69 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tribromo-3,4-dichlorobenzene is sourced from PubChem (CID 86016218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).