1-bromocyclohepta-1,2,4,6-tetraene

C7H5Br — CID 71417336

IUPAC1-bromocyclohepta-1,2,4,6-tetraene
SMILESBrC1=C=CC=CC=C1
InChIInChI=1S/C7H5Br/c8-7-5-3-1-2-4-6-7/h1-5H
InChIKeyWTABRMIEGAATGF-UHFFFAOYSA-N
MW169.02 g/mol
LogP2.55
Rot. Bonds

About 1-bromocyclohepta-1,2,4,6-tetraene

1-bromocyclohepta-1,2,4,6-tetraene (PubChem CID 71417336) has the molecular formula C7H5Br and a molecular weight of 169.02 g/mol. Its IUPAC name is 1-bromocyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name1-bromocyclohepta-1,2,4,6-tetraene
PubChem CID71417336
Molecular FormulaC7H5Br
Molecular Weight169.02 g/mol
Exact Mass167.96
IUPAC Name1-bromocyclohepta-1,2,4,6-tetraene
SMILESBrC1=C=CC=CC=C1
InChIInChI=1S/C7H5Br/c8-7-5-3-1-2-4-6-7/h1-5H
InChIKeyWTABRMIEGAATGF-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.02
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromocyclohepta-1,2,4,6-tetraene?
The IUPAC name of 1-bromocyclohepta-1,2,4,6-tetraene (CID 71417336) is 1-bromocyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 1-bromocyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 1-bromocyclohepta-1,2,4,6-tetraene is BrC1=C=CC=CC=C1.
What is the InChIKey of 1-bromocyclohepta-1,2,4,6-tetraene?
The InChIKey is WTABRMIEGAATGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br/c8-7-5-3-1-2-4-6-7/h1-5H.
What are the key properties of 1-bromocyclohepta-1,2,4,6-tetraene?
1-bromocyclohepta-1,2,4,6-tetraene has a molecular weight of 169.02 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromocyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 71417336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).