1-bromo-2-chlorobenzene

C6H4BrCl — CID 12754

IUPAC1-bromo-2-chlorobenzene
SMILESClc1ccccc1Br
InChIInChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyQBELEDRHMPMKHP-UHFFFAOYSA-N
MW191.46 g/mol
LogP3.10
Rot. Bonds

About 1-bromo-2-chlorobenzene

1-bromo-2-chlorobenzene (PubChem CID 12754) has the molecular formula C6H4BrCl and a molecular weight of 191.46 g/mol. Its IUPAC name is 1-bromo-2-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-chlorobenzene
PubChem CID12754
Molecular FormulaC6H4BrCl
Molecular Weight191.46 g/mol
Exact Mass189.92
IUPAC Name1-bromo-2-chlorobenzene
SMILESClc1ccccc1Br
InChIInChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyQBELEDRHMPMKHP-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chlorobenzene?
The IUPAC name of 1-bromo-2-chlorobenzene (CID 12754) is 1-bromo-2-chlorobenzene.
What is the SMILES notation for 1-bromo-2-chlorobenzene?
The canonical SMILES for 1-bromo-2-chlorobenzene is Clc1ccccc1Br.
What is the InChIKey of 1-bromo-2-chlorobenzene?
The InChIKey is QBELEDRHMPMKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H.
What are the key properties of 1-bromo-2-chlorobenzene?
1-bromo-2-chlorobenzene has a molecular weight of 191.46 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chlorobenzene is sourced from PubChem (CID 12754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).