1-bromo-3-chloro-5-propan-2-ylbenzene

C9H10BrCl — CID 67988281

IUPAC1-bromo-3-chloro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H10BrCl/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3
InChIKeyNDEVAAUCGASYQG-UHFFFAOYSA-N
MW233.54 g/mol
LogP4.23
Rot. Bonds1

About 1-bromo-3-chloro-5-propan-2-ylbenzene

1-bromo-3-chloro-5-propan-2-ylbenzene (PubChem CID 67988281) has the molecular formula C9H10BrCl and a molecular weight of 233.54 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-propan-2-ylbenzene
PubChem CID67988281
Molecular FormulaC9H10BrCl
Molecular Weight233.54 g/mol
Exact Mass231.97
IUPAC Name1-bromo-3-chloro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H10BrCl/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3
InChIKeyNDEVAAUCGASYQG-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-propan-2-ylbenzene?
The IUPAC name of 1-bromo-3-chloro-5-propan-2-ylbenzene (CID 67988281) is 1-bromo-3-chloro-5-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-3-chloro-5-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-3-chloro-5-propan-2-ylbenzene is CC(C)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-5-propan-2-ylbenzene?
The InChIKey is NDEVAAUCGASYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3.
What are the key properties of 1-bromo-3-chloro-5-propan-2-ylbenzene?
1-bromo-3-chloro-5-propan-2-ylbenzene has a molecular weight of 233.54 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-propan-2-ylbenzene is sourced from PubChem (CID 67988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).