4-bromo-1,2-dichlorobenzene

C6H3BrCl2 — CID 29013

IUPAC4-bromo-1,2-dichlorobenzene
SMILESClc1ccc(Br)cc1Cl
InChIInChI=1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyCFPZDVAZISWERM-UHFFFAOYSA-N
MW225.90 g/mol
LogP3.76
Rot. Bonds

About 4-bromo-1,2-dichlorobenzene

4-bromo-1,2-dichlorobenzene (PubChem CID 29013) has the molecular formula C6H3BrCl2 and a molecular weight of 225.90 g/mol. Its IUPAC name is 4-bromo-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-bromo-1,2-dichlorobenzene
PubChem CID29013
Molecular FormulaC6H3BrCl2
Molecular Weight225.90 g/mol
Exact Mass223.88
IUPAC Name4-bromo-1,2-dichlorobenzene
SMILESClc1ccc(Br)cc1Cl
InChIInChI=1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyCFPZDVAZISWERM-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.90
LogP ≤ 53.76
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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Related Compounds

p-Bromochlorobenzene
CID 7806
1-Bromo-3-chlorobenzene
CID 7928
Benzene, 1-bromo-3,5-dichloro-
CID 29766
1-Bromo-2,4-dichlorobenzene
CID 70947
1-Bromo-4-chloro-2-fluorobenzene
CID 137275
2-Bromo-1,4-dichlorobenzene
CID 15033
1-Bromo-2,3-dichlorobenzene
CID 42066
2-Bromo-4-chloro-1-fluorobenzene
CID 2773264
5-Bromo-1,2,3-trichlorobenzene
CID 4124400
1-Bromo-2,3,4,5-tetrachloro-benzene
CID 517976
4-Bromo-1-chloro-2-fluorobenzene
CID 2724690
4-Bromo-2-chloro-1-iodobenzene
CID 2735547

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-dichlorobenzene?
The IUPAC name of 4-bromo-1,2-dichlorobenzene (CID 29013) is 4-bromo-1,2-dichlorobenzene.
What is the SMILES notation for 4-bromo-1,2-dichlorobenzene?
The canonical SMILES for 4-bromo-1,2-dichlorobenzene is Clc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-1,2-dichlorobenzene?
The InChIKey is CFPZDVAZISWERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H.
What are the key properties of 4-bromo-1,2-dichlorobenzene?
4-bromo-1,2-dichlorobenzene has a molecular weight of 225.90 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2-dichlorobenzene is sourced from PubChem (CID 29013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).