5-bromo-1,2,3-trichlorobenzene

C6H2BrCl3 — CID 4124400

IUPAC5-bromo-1,2,3-trichlorobenzene
SMILESClc1cc(Br)cc(Cl)c1Cl
InChIInChI=1S/C6H2BrCl3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyVZUMVBQMJFFYRM-UHFFFAOYSA-N
MW260.35 g/mol
LogP4.41
Rot. Bonds

About 5-bromo-1,2,3-trichlorobenzene

5-bromo-1,2,3-trichlorobenzene (PubChem CID 4124400) has the molecular formula C6H2BrCl3 and a molecular weight of 260.35 g/mol. Its IUPAC name is 5-bromo-1,2,3-trichlorobenzene.

Molecular Properties

Compound Name5-bromo-1,2,3-trichlorobenzene
PubChem CID4124400
Molecular FormulaC6H2BrCl3
Molecular Weight260.35 g/mol
Exact Mass257.84
IUPAC Name5-bromo-1,2,3-trichlorobenzene
SMILESClc1cc(Br)cc(Cl)c1Cl
InChIInChI=1S/C6H2BrCl3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyVZUMVBQMJFFYRM-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 54.41
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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Related Compounds

Benzene, 1-bromo-3,5-dichloro-
CID 29766
1-Bromo-2,4-dichlorobenzene
CID 70947
4-Bromo-1,2-dichlorobenzene
CID 29013
1-Bromo-2,3-dichlorobenzene
CID 42066
2-Bromo-1,3,5-trichlorobenzene
CID 140526
5-Bromo-1,3-dichloro-2-iodobenzene
CID 4574491
1-Bromo-2,3,4,5-tetrachloro-benzene
CID 517976
1-Bromo-2,3,5-trichlorobenzene
CID 4382903
1-Bromo-2,4,5-trichlorobenzene
CID 122453
5-Bromo-1,3-dichloro-2-fluorobenzene
CID 22926230
Benzene, 1,2-dibromo-4-chloro-
CID 143752
1-Bromo-2,3-dichloro-5-fluorobenzene
CID 21691051

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2,3-trichlorobenzene?
The IUPAC name of 5-bromo-1,2,3-trichlorobenzene (CID 4124400) is 5-bromo-1,2,3-trichlorobenzene.
What is the SMILES notation for 5-bromo-1,2,3-trichlorobenzene?
The canonical SMILES for 5-bromo-1,2,3-trichlorobenzene is Clc1cc(Br)cc(Cl)c1Cl.
What is the InChIKey of 5-bromo-1,2,3-trichlorobenzene?
The InChIKey is VZUMVBQMJFFYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H.
What are the key properties of 5-bromo-1,2,3-trichlorobenzene?
5-bromo-1,2,3-trichlorobenzene has a molecular weight of 260.35 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2,3-trichlorobenzene is sourced from PubChem (CID 4124400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).