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

C10H12BrCl — CID 44891102

IUPAC5-bromo-2-chloro-1,3-diethylbenzene
SMILESCCc1cc(Br)cc(CC)c1Cl
InChIInChI=1S/C10H12BrCl/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4H2,1-2H3
InChIKeyOEFQUZJAISQYEJ-UHFFFAOYSA-N
MW247.56 g/mol
LogP4.23
Rot. Bonds2

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

5-bromo-2-chloro-1,3-diethylbenzene (PubChem CID 44891102) has the molecular formula C10H12BrCl and a molecular weight of 247.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-1,3-diethylbenzene.

Molecular Properties

Compound Name5-bromo-2-chloro-1,3-diethylbenzene
PubChem CID44891102
Molecular FormulaC10H12BrCl
Molecular Weight247.56 g/mol
Exact Mass245.98
IUPAC Name5-bromo-2-chloro-1,3-diethylbenzene
SMILESCCc1cc(Br)cc(CC)c1Cl
InChIInChI=1S/C10H12BrCl/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4H2,1-2H3
InChIKeyOEFQUZJAISQYEJ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-1,3-diethylbenzene?
The IUPAC name of 5-bromo-2-chloro-1,3-diethylbenzene (CID 44891102) is 5-bromo-2-chloro-1,3-diethylbenzene.
What is the SMILES notation for 5-bromo-2-chloro-1,3-diethylbenzene?
The canonical SMILES for 5-bromo-2-chloro-1,3-diethylbenzene is CCc1cc(Br)cc(CC)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-1,3-diethylbenzene?
The InChIKey is OEFQUZJAISQYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-1,3-diethylbenzene?
5-bromo-2-chloro-1,3-diethylbenzene has a molecular weight of 247.56 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-1,3-diethylbenzene is sourced from PubChem (CID 44891102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).