1-(2-bromopropan-2-yl)-4-chlorobenzene

C9H10BrCl — CID 13375994

IUPAC1-(2-bromopropan-2-yl)-4-chlorobenzene
SMILESCC(C)(Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H10BrCl/c1-9(2,10)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyMDWSMBKRQRJNKR-UHFFFAOYSA-N
MW233.54 g/mol
LogP3.97
Rot. Bonds1

About 1-(2-bromopropan-2-yl)-4-chlorobenzene

1-(2-bromopropan-2-yl)-4-chlorobenzene (PubChem CID 13375994) has the molecular formula C9H10BrCl and a molecular weight of 233.54 g/mol. Its IUPAC name is 1-(2-bromopropan-2-yl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromopropan-2-yl)-4-chlorobenzene
PubChem CID13375994
Molecular FormulaC9H10BrCl
Molecular Weight233.54 g/mol
Exact Mass231.97
IUPAC Name1-(2-bromopropan-2-yl)-4-chlorobenzene
SMILESCC(C)(Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H10BrCl/c1-9(2,10)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyMDWSMBKRQRJNKR-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopropan-2-yl)-4-chlorobenzene?
The IUPAC name of 1-(2-bromopropan-2-yl)-4-chlorobenzene (CID 13375994) is 1-(2-bromopropan-2-yl)-4-chlorobenzene.
What is the SMILES notation for 1-(2-bromopropan-2-yl)-4-chlorobenzene?
The canonical SMILES for 1-(2-bromopropan-2-yl)-4-chlorobenzene is CC(C)(Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-bromopropan-2-yl)-4-chlorobenzene?
The InChIKey is MDWSMBKRQRJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl/c1-9(2,10)7-3-5-8(11)6-4-7/h3-6H,1-2H3.
What are the key properties of 1-(2-bromopropan-2-yl)-4-chlorobenzene?
1-(2-bromopropan-2-yl)-4-chlorobenzene has a molecular weight of 233.54 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromopropan-2-yl)-4-chlorobenzene is sourced from PubChem (CID 13375994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).