bromobenzene;1-chloropentane

C11H16BrCl — CID 174314793

IUPACbromobenzene;1-chloropentane
SMILESBrc1ccccc1.CCCCCCl
InChIInChI=1S/C6H5Br.C5H11Cl/c7-6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5H;2-5H2,1H3
InChIKeyNWLHIJKJUJCHBL-UHFFFAOYSA-N
MW263.61 g/mol
LogP4.86
Rot. Bonds3

About bromobenzene;1-chloropentane

bromobenzene;1-chloropentane (PubChem CID 174314793) has the molecular formula C11H16BrCl and a molecular weight of 263.61 g/mol. Its IUPAC name is bromobenzene;1-chloropentane.

Molecular Properties

Compound Namebromobenzene;1-chloropentane
PubChem CID174314793
Molecular FormulaC11H16BrCl
Molecular Weight263.61 g/mol
Exact Mass262.01
IUPAC Namebromobenzene;1-chloropentane
SMILESBrc1ccccc1.CCCCCCl
InChIInChI=1S/C6H5Br.C5H11Cl/c7-6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5H;2-5H2,1H3
InChIKeyNWLHIJKJUJCHBL-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;1-chloropentane?
The IUPAC name of bromobenzene;1-chloropentane (CID 174314793) is bromobenzene;1-chloropentane.
What is the SMILES notation for bromobenzene;1-chloropentane?
The canonical SMILES for bromobenzene;1-chloropentane is Brc1ccccc1.CCCCCCl.
What is the InChIKey of bromobenzene;1-chloropentane?
The InChIKey is NWLHIJKJUJCHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C5H11Cl/c7-6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5H;2-5H2,1H3.
What are the key properties of bromobenzene;1-chloropentane?
bromobenzene;1-chloropentane has a molecular weight of 263.61 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;1-chloropentane is sourced from PubChem (CID 174314793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).