2-bromo-4-chloro-1-methylbenzene

C7H6BrCl — CID 609898

IUPAC2-bromo-4-chloro-1-methylbenzene
SMILESCc1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrCl/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKeyCSUUXPHPCXHYGY-UHFFFAOYSA-N
MW205.48 g/mol
LogP3.41
Rot. Bonds

About 2-bromo-4-chloro-1-methylbenzene

2-bromo-4-chloro-1-methylbenzene (PubChem CID 609898) has the molecular formula C7H6BrCl and a molecular weight of 205.48 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-methylbenzene
PubChem CID609898
Molecular FormulaC7H6BrCl
Molecular Weight205.48 g/mol
Exact Mass203.93
IUPAC Name2-bromo-4-chloro-1-methylbenzene
SMILESCc1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrCl/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKeyCSUUXPHPCXHYGY-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-methylbenzene?
The IUPAC name of 2-bromo-4-chloro-1-methylbenzene (CID 609898) is 2-bromo-4-chloro-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-chloro-1-methylbenzene?
The canonical SMILES for 2-bromo-4-chloro-1-methylbenzene is Cc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-methylbenzene?
The InChIKey is CSUUXPHPCXHYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3.
What are the key properties of 2-bromo-4-chloro-1-methylbenzene?
2-bromo-4-chloro-1-methylbenzene has a molecular weight of 205.48 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-methylbenzene is sourced from PubChem (CID 609898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).