5-(bromomethyl)-1,4-dichloronaphthalene

C11H7BrCl2 — CID 67907571

IUPAC5-(bromomethyl)-1,4-dichloronaphthalene
SMILESClc1ccc(Cl)c2c(CBr)cccc12
InChIInChI=1S/C11H7BrCl2/c12-6-7-2-1-3-8-9(13)4-5-10(14)11(7)8/h1-5H,6H2
InChIKeyNDUCXBXEGBQGFC-UHFFFAOYSA-N
MW289.99 g/mol
LogP5.04
Rot. Bonds1

About 5-(bromomethyl)-1,4-dichloronaphthalene

5-(bromomethyl)-1,4-dichloronaphthalene (PubChem CID 67907571) has the molecular formula C11H7BrCl2 and a molecular weight of 289.99 g/mol. Its IUPAC name is 5-(bromomethyl)-1,4-dichloronaphthalene.

Molecular Properties

Compound Name5-(bromomethyl)-1,4-dichloronaphthalene
PubChem CID67907571
Molecular FormulaC11H7BrCl2
Molecular Weight289.99 g/mol
Exact Mass287.91
IUPAC Name5-(bromomethyl)-1,4-dichloronaphthalene
SMILESClc1ccc(Cl)c2c(CBr)cccc12
InChIInChI=1S/C11H7BrCl2/c12-6-7-2-1-3-8-9(13)4-5-10(14)11(7)8/h1-5H,6H2
InChIKeyNDUCXBXEGBQGFC-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.99
LogP ≤ 55.04
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 5-(bromomethyl)-1,4-dichloronaphthalene?
The IUPAC name of 5-(bromomethyl)-1,4-dichloronaphthalene (CID 67907571) is 5-(bromomethyl)-1,4-dichloronaphthalene.
What is the SMILES notation for 5-(bromomethyl)-1,4-dichloronaphthalene?
The canonical SMILES for 5-(bromomethyl)-1,4-dichloronaphthalene is Clc1ccc(Cl)c2c(CBr)cccc12.
What is the InChIKey of 5-(bromomethyl)-1,4-dichloronaphthalene?
The InChIKey is NDUCXBXEGBQGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2/c12-6-7-2-1-3-8-9(13)4-5-10(14)11(7)8/h1-5H,6H2.
What are the key properties of 5-(bromomethyl)-1,4-dichloronaphthalene?
5-(bromomethyl)-1,4-dichloronaphthalene has a molecular weight of 289.99 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,4-dichloronaphthalene is sourced from PubChem (CID 67907571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).