1,3,5-tribromobenzene

C6H3Br3 — CID 12279

IUPAC1,3,5-tribromobenzene
SMILESBrc1cc(Br)cc(Br)c1
InChIInChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyYWDUZLFWHVQCHY-UHFFFAOYSA-N
MW314.80 g/mol
LogP3.97
Rot. Bonds

About 1,3,5-tribromobenzene

1,3,5-tribromobenzene (PubChem CID 12279) has the molecular formula C6H3Br3 and a molecular weight of 314.80 g/mol. Its IUPAC name is 1,3,5-tribromobenzene.

Molecular Properties

Compound Name1,3,5-tribromobenzene
PubChem CID12279
Molecular FormulaC6H3Br3
Molecular Weight314.80 g/mol
Exact Mass311.78
IUPAC Name1,3,5-tribromobenzene
SMILESBrc1cc(Br)cc(Br)c1
InChIInChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyYWDUZLFWHVQCHY-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 53.97
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
1,3-Dibromobenzene
CID 7927
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
1-Bromo-4-iodobenzene
CID 11522

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromobenzene?
The IUPAC name of 1,3,5-tribromobenzene (CID 12279) is 1,3,5-tribromobenzene.
What is the SMILES notation for 1,3,5-tribromobenzene?
The canonical SMILES for 1,3,5-tribromobenzene is Brc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3,5-tribromobenzene?
The InChIKey is YWDUZLFWHVQCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H.
What are the key properties of 1,3,5-tribromobenzene?
1,3,5-tribromobenzene has a molecular weight of 314.80 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromobenzene is sourced from PubChem (CID 12279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).