bromobenzene

C6H5Br — CID 7961

IUPACbromobenzene
SMILESBrc1ccccc1
InChIInChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyQARVLSVVCXYDNA-UHFFFAOYSA-N
MW157.01 g/mol
LogP2.45
Rot. Bonds

About bromobenzene

bromobenzene (PubChem CID 7961) has the molecular formula C6H5Br and a molecular weight of 157.01 g/mol. Its IUPAC name is bromobenzene.

Molecular Properties

Compound Namebromobenzene
PubChem CID7961
Molecular FormulaC6H5Br
Molecular Weight157.01 g/mol
Exact Mass155.96
IUPAC Namebromobenzene
SMILESBrc1ccccc1
InChIInChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyQARVLSVVCXYDNA-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 7804
CID 7804
CID 9993
CID 9993
CID 12002
CID 12002
CID 11414
CID 11414
CID 61259
CID 61259
CID 79599
CID 79599
CID 12279
CID 12279
CID 66049
CID 66049
CID 80598
CID 80598
CID 7927
CID 7927
CID 14082
CID 14082
CID 67674
CID 67674

Frequently Asked Questions

What is the IUPAC name of bromobenzene?
The IUPAC name of bromobenzene (CID 7961) is bromobenzene.
What is the SMILES notation for bromobenzene?
The canonical SMILES for bromobenzene is Brc1ccccc1.
What is the InChIKey of bromobenzene?
The InChIKey is QARVLSVVCXYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of bromobenzene?
bromobenzene has a molecular weight of 157.01 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene is sourced from PubChem (CID 7961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).