1,3-dibromobenzene;1,4-dibromobenzene

C12H8Br4 — CID 70555684

IUPAC1,3-dibromobenzene;1,4-dibromobenzene
SMILESBrc1ccc(Br)cc1.Brc1cccc(Br)c1
InChIInChI=1S/2C6H4Br2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H
InChIKeyAFJACOGHUNNDJR-UHFFFAOYSA-N
MW471.81 g/mol
LogP6.42
Rot. Bonds

About 1,3-dibromobenzene;1,4-dibromobenzene

1,3-dibromobenzene;1,4-dibromobenzene (PubChem CID 70555684) has the molecular formula C12H8Br4 and a molecular weight of 471.81 g/mol. Its IUPAC name is 1,3-dibromobenzene;1,4-dibromobenzene.

Molecular Properties

Compound Name1,3-dibromobenzene;1,4-dibromobenzene
PubChem CID70555684
Molecular FormulaC12H8Br4
Molecular Weight471.81 g/mol
Exact Mass467.74
IUPAC Name1,3-dibromobenzene;1,4-dibromobenzene
SMILESBrc1ccc(Br)cc1.Brc1cccc(Br)c1
InChIInChI=1S/2C6H4Br2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H
InChIKeyAFJACOGHUNNDJR-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.81
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromobenzene;1,4-dibromobenzene?
The IUPAC name of 1,3-dibromobenzene;1,4-dibromobenzene (CID 70555684) is 1,3-dibromobenzene;1,4-dibromobenzene.
What is the SMILES notation for 1,3-dibromobenzene;1,4-dibromobenzene?
The canonical SMILES for 1,3-dibromobenzene;1,4-dibromobenzene is Brc1ccc(Br)cc1.Brc1cccc(Br)c1.
What is the InChIKey of 1,3-dibromobenzene;1,4-dibromobenzene?
The InChIKey is AFJACOGHUNNDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4Br2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H.
What are the key properties of 1,3-dibromobenzene;1,4-dibromobenzene?
1,3-dibromobenzene;1,4-dibromobenzene has a molecular weight of 471.81 g/mol, XLogP of 6.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromobenzene;1,4-dibromobenzene is sourced from PubChem (CID 70555684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).