3,8-dibromoacenaphthylene

C12H6Br2 — CID 42638690

IUPAC3,8-dibromoacenaphthylene
SMILESBrc1ccc2ccc(Br)c3c2c1C=C3
InChIInChI=1S/C12H6Br2/c13-10-5-1-7-2-6-11(14)9-4-3-8(10)12(7)9/h1-6H
InChIKeyHJCPYGFGIYJFGN-UHFFFAOYSA-N
MW309.99 g/mol
LogP4.85
Rot. Bonds

About 3,8-dibromoacenaphthylene

3,8-dibromoacenaphthylene (PubChem CID 42638690) has the molecular formula C12H6Br2 and a molecular weight of 309.99 g/mol. Its IUPAC name is 3,8-dibromoacenaphthylene.

Molecular Properties

Compound Name3,8-dibromoacenaphthylene
PubChem CID42638690
Molecular FormulaC12H6Br2
Molecular Weight309.99 g/mol
Exact Mass307.88
IUPAC Name3,8-dibromoacenaphthylene
SMILESBrc1ccc2ccc(Br)c3c2c1C=C3
InChIInChI=1S/C12H6Br2/c13-10-5-1-7-2-6-11(14)9-4-3-8(10)12(7)9/h1-6H
InChIKeyHJCPYGFGIYJFGN-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromoacenaphthylene?
The IUPAC name of 3,8-dibromoacenaphthylene (CID 42638690) is 3,8-dibromoacenaphthylene.
What is the SMILES notation for 3,8-dibromoacenaphthylene?
The canonical SMILES for 3,8-dibromoacenaphthylene is Brc1ccc2ccc(Br)c3c2c1C=C3.
What is the InChIKey of 3,8-dibromoacenaphthylene?
The InChIKey is HJCPYGFGIYJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2/c13-10-5-1-7-2-6-11(14)9-4-3-8(10)12(7)9/h1-6H.
What are the key properties of 3,8-dibromoacenaphthylene?
3,8-dibromoacenaphthylene has a molecular weight of 309.99 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromoacenaphthylene is sourced from PubChem (CID 42638690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).