1-(2-bromocyclobutyl)-4-chlorobenzene

C10H10BrCl — CID 68872096

IUPAC1-(2-bromocyclobutyl)-4-chlorobenzene
SMILESClc1ccc(C2CCC2Br)cc1
InChIInChI=1S/C10H10BrCl/c11-10-6-5-9(10)7-1-3-8(12)4-2-7/h1-4,9-10H,5-6H2
InChIKeyHHGHSPDQCPJWCK-UHFFFAOYSA-N
MW245.55 g/mol
LogP3.98
Rot. Bonds1

About 1-(2-bromocyclobutyl)-4-chlorobenzene

1-(2-bromocyclobutyl)-4-chlorobenzene (PubChem CID 68872096) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 1-(2-bromocyclobutyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromocyclobutyl)-4-chlorobenzene
PubChem CID68872096
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name1-(2-bromocyclobutyl)-4-chlorobenzene
SMILESClc1ccc(C2CCC2Br)cc1
InChIInChI=1S/C10H10BrCl/c11-10-6-5-9(10)7-1-3-8(12)4-2-7/h1-4,9-10H,5-6H2
InChIKeyHHGHSPDQCPJWCK-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 53.98
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-bromocyclobutyl)-4-chlorobenzene?
The IUPAC name of 1-(2-bromocyclobutyl)-4-chlorobenzene (CID 68872096) is 1-(2-bromocyclobutyl)-4-chlorobenzene.
What is the SMILES notation for 1-(2-bromocyclobutyl)-4-chlorobenzene?
The canonical SMILES for 1-(2-bromocyclobutyl)-4-chlorobenzene is Clc1ccc(C2CCC2Br)cc1.
What is the InChIKey of 1-(2-bromocyclobutyl)-4-chlorobenzene?
The InChIKey is HHGHSPDQCPJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl/c11-10-6-5-9(10)7-1-3-8(12)4-2-7/h1-4,9-10H,5-6H2.
What are the key properties of 1-(2-bromocyclobutyl)-4-chlorobenzene?
1-(2-bromocyclobutyl)-4-chlorobenzene has a molecular weight of 245.55 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclobutyl)-4-chlorobenzene is sourced from PubChem (CID 68872096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).