2-bromo-5-chloro-1,3-dimethylbenzene

C8H8BrCl — CID 5324738

IUPAC2-bromo-5-chloro-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1Br
InChIInChI=1S/C8H8BrCl/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChIKeyCFMPIQSLDJXNPD-UHFFFAOYSA-N
MW219.51 g/mol
LogP3.72
Rot. Bonds

About 2-bromo-5-chloro-1,3-dimethylbenzene

2-bromo-5-chloro-1,3-dimethylbenzene (PubChem CID 5324738) has the molecular formula C8H8BrCl and a molecular weight of 219.51 g/mol. Its IUPAC name is 2-bromo-5-chloro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-chloro-1,3-dimethylbenzene
PubChem CID5324738
Molecular FormulaC8H8BrCl
Molecular Weight219.51 g/mol
Exact Mass217.95
IUPAC Name2-bromo-5-chloro-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1Br
InChIInChI=1S/C8H8BrCl/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChIKeyCFMPIQSLDJXNPD-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 56604775
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CID 104277764
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CID 118844257
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CID 165368615
CID 165368615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-chloro-1,3-dimethylbenzene (CID 5324738) is 2-bromo-5-chloro-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-chloro-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-chloro-1,3-dimethylbenzene is Cc1cc(Cl)cc(C)c1Br.
What is the InChIKey of 2-bromo-5-chloro-1,3-dimethylbenzene?
The InChIKey is CFMPIQSLDJXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3.
What are the key properties of 2-bromo-5-chloro-1,3-dimethylbenzene?
2-bromo-5-chloro-1,3-dimethylbenzene has a molecular weight of 219.51 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-1,3-dimethylbenzene is sourced from PubChem (CID 5324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).