1-(bromomethyl)-3-chloronaphthalene

C11H8BrCl — CID 18673594

IUPAC1-(bromomethyl)-3-chloronaphthalene
SMILESClc1cc(CBr)c2ccccc2c1
InChIInChI=1S/C11H8BrCl/c12-7-9-6-10(13)5-8-3-1-2-4-11(8)9/h1-6H,7H2
InChIKeyCSZQDQGTJQKYDF-UHFFFAOYSA-N
MW255.54 g/mol
LogP4.39
Rot. Bonds1

About 1-(bromomethyl)-3-chloronaphthalene

1-(bromomethyl)-3-chloronaphthalene (PubChem CID 18673594) has the molecular formula C11H8BrCl and a molecular weight of 255.54 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloronaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloronaphthalene
PubChem CID18673594
Molecular FormulaC11H8BrCl
Molecular Weight255.54 g/mol
Exact Mass253.95
IUPAC Name1-(bromomethyl)-3-chloronaphthalene
SMILESClc1cc(CBr)c2ccccc2c1
InChIInChI=1S/C11H8BrCl/c12-7-9-6-10(13)5-8-3-1-2-4-11(8)9/h1-6H,7H2
InChIKeyCSZQDQGTJQKYDF-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.54
LogP ≤ 54.39
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-(bromomethyl)-3-chloronaphthalene?
The IUPAC name of 1-(bromomethyl)-3-chloronaphthalene (CID 18673594) is 1-(bromomethyl)-3-chloronaphthalene.
What is the SMILES notation for 1-(bromomethyl)-3-chloronaphthalene?
The canonical SMILES for 1-(bromomethyl)-3-chloronaphthalene is Clc1cc(CBr)c2ccccc2c1.
What is the InChIKey of 1-(bromomethyl)-3-chloronaphthalene?
The InChIKey is CSZQDQGTJQKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl/c12-7-9-6-10(13)5-8-3-1-2-4-11(8)9/h1-6H,7H2.
What are the key properties of 1-(bromomethyl)-3-chloronaphthalene?
1-(bromomethyl)-3-chloronaphthalene has a molecular weight of 255.54 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloronaphthalene is sourced from PubChem (CID 18673594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).