1,3-dibromobenzene

C6H4Br2 — CID 7927

IUPAC1,3-dibromobenzene
SMILESBrc1cccc(Br)c1
InChIInChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyJSRLURSZEMLAFO-UHFFFAOYSA-N
MW235.91 g/mol
LogP3.21
Rot. Bonds

About 1,3-dibromobenzene

1,3-dibromobenzene (PubChem CID 7927) has the molecular formula C6H4Br2 and a molecular weight of 235.91 g/mol. Its IUPAC name is 1,3-dibromobenzene.

Molecular Properties

Compound Name1,3-dibromobenzene
PubChem CID7927
Molecular FormulaC6H4Br2
Molecular Weight235.91 g/mol
Exact Mass233.87
IUPAC Name1,3-dibromobenzene
SMILESBrc1cccc(Br)c1
InChIInChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyJSRLURSZEMLAFO-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.91
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Bromobenzene
CID 7961
1,4-Dibromobenzene
CID 7804
1-Bromo-4-fluorobenzene
CID 9993
1,2,4-Tribromobenzene
CID 12002
1,2-Dibromobenzene
CID 11414
1-Bromo-2-fluorobenzene
CID 61259
(4-Bromophenyl)boronic acid
CID 79599
1,3,5-Tribromobenzene
CID 12279
1,2,4,5-Tetrabromobenzene
CID 12486
1-Bromo-3-fluorobenzene
CID 14082
1-Bromo-2,4-difluorobenzene
CID 67674
1-Bromo-2-iodobenzene
CID 11415

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromobenzene?
The IUPAC name of 1,3-dibromobenzene (CID 7927) is 1,3-dibromobenzene.
What is the SMILES notation for 1,3-dibromobenzene?
The canonical SMILES for 1,3-dibromobenzene is Brc1cccc(Br)c1.
What is the InChIKey of 1,3-dibromobenzene?
The InChIKey is JSRLURSZEMLAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H.
What are the key properties of 1,3-dibromobenzene?
1,3-dibromobenzene has a molecular weight of 235.91 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromobenzene is sourced from PubChem (CID 7927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).