1,4-dibromonaphthalene

C20H12Br4 — CID 162208061

IUPAC1,4-dibromonaphthalene
SMILESBrc1ccc(Br)c2ccccc12.Brc1ccc(Br)c2ccccc12
InChIInChI=1S/2C10H6Br2/c2*11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-6H
InChIKeyZSLVRXSCIKRHNM-UHFFFAOYSA-N
MW571.93 g/mol
LogP8.73
Rot. Bonds

About 1,4-dibromonaphthalene

1,4-dibromonaphthalene (PubChem CID 162208061) has the molecular formula C20H12Br4 and a molecular weight of 571.93 g/mol. Its IUPAC name is 1,4-dibromonaphthalene.

Molecular Properties

Compound Name1,4-dibromonaphthalene
PubChem CID162208061
Molecular FormulaC20H12Br4
Molecular Weight571.93 g/mol
Exact Mass567.77
IUPAC Name1,4-dibromonaphthalene
SMILESBrc1ccc(Br)c2ccccc12.Brc1ccc(Br)c2ccccc12
InChIInChI=1S/2C10H6Br2/c2*11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-6H
InChIKeyZSLVRXSCIKRHNM-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.93
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromonaphthalene?
The IUPAC name of 1,4-dibromonaphthalene (CID 162208061) is 1,4-dibromonaphthalene.
What is the SMILES notation for 1,4-dibromonaphthalene?
The canonical SMILES for 1,4-dibromonaphthalene is Brc1ccc(Br)c2ccccc12.Brc1ccc(Br)c2ccccc12.
What is the InChIKey of 1,4-dibromonaphthalene?
The InChIKey is ZSLVRXSCIKRHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H6Br2/c2*11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-6H.
What are the key properties of 1,4-dibromonaphthalene?
1,4-dibromonaphthalene has a molecular weight of 571.93 g/mol, XLogP of 8.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromonaphthalene is sourced from PubChem (CID 162208061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).