1-bromo-5-chloroacenaphthylene

C12H6BrCl — CID 141476110

IUPAC1-bromo-5-chloroacenaphthylene
SMILESClc1ccc2c3c(cccc13)C(Br)=C2
InChIInChI=1S/C12H6BrCl/c13-10-6-7-4-5-11(14)9-3-1-2-8(10)12(7)9/h1-6H
InChIKeyWEJFXQSAZMKQFC-UHFFFAOYSA-N
MW265.54 g/mol
LogP4.70
Rot. Bonds

About 1-bromo-5-chloroacenaphthylene

1-bromo-5-chloroacenaphthylene (PubChem CID 141476110) has the molecular formula C12H6BrCl and a molecular weight of 265.54 g/mol. Its IUPAC name is 1-bromo-5-chloroacenaphthylene.

Molecular Properties

Compound Name1-bromo-5-chloroacenaphthylene
PubChem CID141476110
Molecular FormulaC12H6BrCl
Molecular Weight265.54 g/mol
Exact Mass263.93
IUPAC Name1-bromo-5-chloroacenaphthylene
SMILESClc1ccc2c3c(cccc13)C(Br)=C2
InChIInChI=1S/C12H6BrCl/c13-10-6-7-4-5-11(14)9-3-1-2-8(10)12(7)9/h1-6H
InChIKeyWEJFXQSAZMKQFC-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloroacenaphthylene?
The IUPAC name of 1-bromo-5-chloroacenaphthylene (CID 141476110) is 1-bromo-5-chloroacenaphthylene.
What is the SMILES notation for 1-bromo-5-chloroacenaphthylene?
The canonical SMILES for 1-bromo-5-chloroacenaphthylene is Clc1ccc2c3c(cccc13)C(Br)=C2.
What is the InChIKey of 1-bromo-5-chloroacenaphthylene?
The InChIKey is WEJFXQSAZMKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl/c13-10-6-7-4-5-11(14)9-3-1-2-8(10)12(7)9/h1-6H.
What are the key properties of 1-bromo-5-chloroacenaphthylene?
1-bromo-5-chloroacenaphthylene has a molecular weight of 265.54 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloroacenaphthylene is sourced from PubChem (CID 141476110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).