1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene

C11H13BrCl2 — CID 130598218

IUPAC1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene
SMILESCC(C)(CCl)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrCl2/c1-11(2,7-13)6-8-5-9(14)3-4-10(8)12/h3-5H,6-7H2,1-2H3
InChIKeyGEJUUXLOWLHDIC-UHFFFAOYSA-N
MW296.03 g/mol
LogP4.91
Rot. Bonds3

About 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene

1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene (PubChem CID 130598218) has the molecular formula C11H13BrCl2 and a molecular weight of 296.03 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene
PubChem CID130598218
Molecular FormulaC11H13BrCl2
Molecular Weight296.03 g/mol
Exact Mass293.96
IUPAC Name1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene
SMILESCC(C)(CCl)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrCl2/c1-11(2,7-13)6-8-5-9(14)3-4-10(8)12/h3-5H,6-7H2,1-2H3
InChIKeyGEJUUXLOWLHDIC-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719676
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
CID 103051481
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
2-(2-bromo-5-chlorophenyl)acetaldehyde
CID 66159966
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene?
The IUPAC name of 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene (CID 130598218) is 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene.
What is the SMILES notation for 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene?
The canonical SMILES for 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene is CC(C)(CCl)Cc1cc(Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene?
The InChIKey is GEJUUXLOWLHDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2/c1-11(2,7-13)6-8-5-9(14)3-4-10(8)12/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene?
1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene has a molecular weight of 296.03 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene is sourced from PubChem (CID 130598218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).