4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene

C10H11BrCl2 — CID 82045228

IUPAC4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene
SMILESCC(C)(CBr)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11BrCl2/c1-10(2,6-11)7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3
InChIKeyURPIZGDWALYSEJ-UHFFFAOYSA-N
MW282.01 g/mol
LogP4.67
Rot. Bonds2

About 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene

4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene (PubChem CID 82045228) has the molecular formula C10H11BrCl2 and a molecular weight of 282.01 g/mol. Its IUPAC name is 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene
PubChem CID82045228
Molecular FormulaC10H11BrCl2
Molecular Weight282.01 g/mol
Exact Mass279.94
IUPAC Name4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene
SMILESCC(C)(CBr)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11BrCl2/c1-10(2,6-11)7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3
InChIKeyURPIZGDWALYSEJ-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.01
LogP ≤ 54.67
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 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene?
The IUPAC name of 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene (CID 82045228) is 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene?
The canonical SMILES for 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene is CC(C)(CBr)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene?
The InChIKey is URPIZGDWALYSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2/c1-10(2,6-11)7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene?
4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene has a molecular weight of 282.01 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene is sourced from PubChem (CID 82045228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).