4-(bromomethoxy)-1,2-dichlorobenzene

C7H5BrCl2O — CID 22961270

IUPAC4-(bromomethoxy)-1,2-dichlorobenzene
SMILESClc1ccc(OCBr)cc1Cl
InChIInChI=1S/C7H5BrCl2O/c8-4-11-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKeyIQYIUROQJVZCDH-UHFFFAOYSA-N
MW255.93 g/mol
LogP3.72
Rot. Bonds2

About 4-(bromomethoxy)-1,2-dichlorobenzene

4-(bromomethoxy)-1,2-dichlorobenzene (PubChem CID 22961270) has the molecular formula C7H5BrCl2O and a molecular weight of 255.93 g/mol. Its IUPAC name is 4-(bromomethoxy)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(bromomethoxy)-1,2-dichlorobenzene
PubChem CID22961270
Molecular FormulaC7H5BrCl2O
Molecular Weight255.93 g/mol
Exact Mass253.89
IUPAC Name4-(bromomethoxy)-1,2-dichlorobenzene
SMILESClc1ccc(OCBr)cc1Cl
InChIInChI=1S/C7H5BrCl2O/c8-4-11-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKeyIQYIUROQJVZCDH-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.93
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(bromomethoxy)-1,2-dichlorobenzene?
The IUPAC name of 4-(bromomethoxy)-1,2-dichlorobenzene (CID 22961270) is 4-(bromomethoxy)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(bromomethoxy)-1,2-dichlorobenzene?
The canonical SMILES for 4-(bromomethoxy)-1,2-dichlorobenzene is Clc1ccc(OCBr)cc1Cl.
What is the InChIKey of 4-(bromomethoxy)-1,2-dichlorobenzene?
The InChIKey is IQYIUROQJVZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O/c8-4-11-5-1-2-6(9)7(10)3-5/h1-3H,4H2.
What are the key properties of 4-(bromomethoxy)-1,2-dichlorobenzene?
4-(bromomethoxy)-1,2-dichlorobenzene has a molecular weight of 255.93 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethoxy)-1,2-dichlorobenzene is sourced from PubChem (CID 22961270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).