4-bromo-1-chloro-2-methylbenzene

C7H6BrCl — CID 609899

IUPAC4-bromo-1-chloro-2-methylbenzene
SMILESCc1cc(Br)ccc1Cl
InChIInChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKeyOZFQMHJKAODEON-UHFFFAOYSA-N
MW205.48 g/mol
LogP3.41
Rot. Bonds

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

4-bromo-1-chloro-2-methylbenzene (PubChem CID 609899) has the molecular formula C7H6BrCl and a molecular weight of 205.48 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-methylbenzene
PubChem CID609899
Molecular FormulaC7H6BrCl
Molecular Weight205.48 g/mol
Exact Mass203.93
IUPAC Name4-bromo-1-chloro-2-methylbenzene
SMILESCc1cc(Br)ccc1Cl
InChIInChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKeyOZFQMHJKAODEON-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 4-bromo-1-chloro-2-methylbenzene?
The IUPAC name of 4-bromo-1-chloro-2-methylbenzene (CID 609899) is 4-bromo-1-chloro-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-chloro-2-methylbenzene?
The canonical SMILES for 4-bromo-1-chloro-2-methylbenzene is Cc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-methylbenzene?
The InChIKey is OZFQMHJKAODEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3.
What are the key properties of 4-bromo-1-chloro-2-methylbenzene?
4-bromo-1-chloro-2-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 4-bromo-1-chloro-2-methylbenzene is sourced from PubChem (CID 609899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).