2-(2-bromoethyl)-1,3-dichlorobenzene

C8H7BrCl2 — CID 13480195

IUPAC2-(2-bromoethyl)-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1CCBr
InChIInChI=1S/C8H7BrCl2/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2
InChIKeyZWMPYIRPUBVKPN-UHFFFAOYSA-N
MW253.95 g/mol
LogP3.93
Rot. Bonds2

About 2-(2-bromoethyl)-1,3-dichlorobenzene

2-(2-bromoethyl)-1,3-dichlorobenzene (PubChem CID 13480195) has the molecular formula C8H7BrCl2 and a molecular weight of 253.95 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-(2-bromoethyl)-1,3-dichlorobenzene
PubChem CID13480195
Molecular FormulaC8H7BrCl2
Molecular Weight253.95 g/mol
Exact Mass251.91
IUPAC Name2-(2-bromoethyl)-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1CCBr
InChIInChI=1S/C8H7BrCl2/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2
InChIKeyZWMPYIRPUBVKPN-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.95
LogP ≤ 53.93
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 2-(2-bromoethyl)-1,3-dichlorobenzene?
The IUPAC name of 2-(2-bromoethyl)-1,3-dichlorobenzene (CID 13480195) is 2-(2-bromoethyl)-1,3-dichlorobenzene.
What is the SMILES notation for 2-(2-bromoethyl)-1,3-dichlorobenzene?
The canonical SMILES for 2-(2-bromoethyl)-1,3-dichlorobenzene is Clc1cccc(Cl)c1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1,3-dichlorobenzene?
The InChIKey is ZWMPYIRPUBVKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2.
What are the key properties of 2-(2-bromoethyl)-1,3-dichlorobenzene?
2-(2-bromoethyl)-1,3-dichlorobenzene has a molecular weight of 253.95 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1,3-dichlorobenzene is sourced from PubChem (CID 13480195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).