1-bromo-2-chloronaphthalene

C10H6BrCl — CID 12611482

IUPAC1-bromo-2-chloronaphthalene
SMILESClc1ccc2ccccc2c1Br
InChIInChI=1S/C10H6BrCl/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H
InChIKeyNDXQDKJSFNZMJK-UHFFFAOYSA-N
MW241.52 g/mol
LogP4.26
Rot. Bonds

About 1-bromo-2-chloronaphthalene

1-bromo-2-chloronaphthalene (PubChem CID 12611482) has the molecular formula C10H6BrCl and a molecular weight of 241.52 g/mol. Its IUPAC name is 1-bromo-2-chloronaphthalene.

Molecular Properties

Compound Name1-bromo-2-chloronaphthalene
PubChem CID12611482
Molecular FormulaC10H6BrCl
Molecular Weight241.52 g/mol
Exact Mass239.93
IUPAC Name1-bromo-2-chloronaphthalene
SMILESClc1ccc2ccccc2c1Br
InChIInChI=1S/C10H6BrCl/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H
InChIKeyNDXQDKJSFNZMJK-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloronaphthalene?
The IUPAC name of 1-bromo-2-chloronaphthalene (CID 12611482) is 1-bromo-2-chloronaphthalene.
What is the SMILES notation for 1-bromo-2-chloronaphthalene?
The canonical SMILES for 1-bromo-2-chloronaphthalene is Clc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-chloronaphthalene?
The InChIKey is NDXQDKJSFNZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H.
What are the key properties of 1-bromo-2-chloronaphthalene?
1-bromo-2-chloronaphthalene has a molecular weight of 241.52 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloronaphthalene is sourced from PubChem (CID 12611482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).