1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene

C10H10BrCl — CID 81351751

IUPAC1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene
SMILESClc1ccccc1C1CC1CBr
InChIInChI=1S/C10H10BrCl/c11-6-7-5-9(7)8-3-1-2-4-10(8)12/h1-4,7,9H,5-6H2
InChIKeyCMANEOLQGFSPLQ-UHFFFAOYSA-N
MW245.55 g/mol
LogP3.84
Rot. Bonds2

About 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene

1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene (PubChem CID 81351751) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene
PubChem CID81351751
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene
SMILESClc1ccccc1C1CC1CBr
InChIInChI=1S/C10H10BrCl/c11-6-7-5-9(7)8-3-1-2-4-10(8)12/h1-4,7,9H,5-6H2
InChIKeyCMANEOLQGFSPLQ-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 53.84
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-(bromomethyl)cyclopropyl]-2-chlorobenzene?
The IUPAC name of 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene (CID 81351751) is 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene is Clc1ccccc1C1CC1CBr.
What is the InChIKey of 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene?
The InChIKey is CMANEOLQGFSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl/c11-6-7-5-9(7)8-3-1-2-4-10(8)12/h1-4,7,9H,5-6H2.
What are the key properties of 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene?
1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene has a molecular weight of 245.55 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene is sourced from PubChem (CID 81351751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).