bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide

C6H5Br — CID 146278379

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide
SMILESBr.c1cc2ccc1-2
InChIInChI=1S/C6H4.BrH/c1-2-6-4-3-5(1)6;/h1-4H;1H
InChIKeyYXEPCSRHTLLMHY-UHFFFAOYSA-N
MW157.01 g/mol
LogP2.24
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide

bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide (PubChem CID 146278379) has the molecular formula C6H5Br and a molecular weight of 157.01 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide
PubChem CID146278379
Molecular FormulaC6H5Br
Molecular Weight157.01 g/mol
Exact Mass155.96
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide
SMILESBr.c1cc2ccc1-2
InChIInChI=1S/C6H4.BrH/c1-2-6-4-3-5(1)6;/h1-4H;1H
InChIKeyYXEPCSRHTLLMHY-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.01
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide (CID 146278379) is bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide is Br.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide?
The InChIKey is YXEPCSRHTLLMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.BrH/c1-2-6-4-3-5(1)6;/h1-4H;1H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide?
bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide has a molecular weight of 157.01 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;hydrobromide is sourced from PubChem (CID 146278379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).