benzoyl bromide

C7H5BrO — CID 12056

IUPACbenzoyl bromide
SMILESO=C(Br)c1ccccc1
InChIInChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyAQIHMSVIAGNIDM-UHFFFAOYSA-N
MW185.02 g/mol
LogP2.22
Rot. Bonds1

About benzoyl bromide

benzoyl bromide (PubChem CID 12056) has the molecular formula C7H5BrO and a molecular weight of 185.02 g/mol. Its IUPAC name is benzoyl bromide.

Molecular Properties

Compound Namebenzoyl bromide
PubChem CID12056
Molecular FormulaC7H5BrO
Molecular Weight185.02 g/mol
Exact Mass183.95
IUPAC Namebenzoyl bromide
SMILESO=C(Br)c1ccccc1
InChIInChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyAQIHMSVIAGNIDM-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.02
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

CID 87090637
CID 87090637
CID 87293530
CID 87293530
benzoyl bromide;1,3-dinitrobenzene
CID 174634067
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
benzoic acid;zirconium
CID 173089080
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of benzoyl bromide?
The IUPAC name of benzoyl bromide (CID 12056) is benzoyl bromide.
What is the SMILES notation for benzoyl bromide?
The canonical SMILES for benzoyl bromide is O=C(Br)c1ccccc1.
What is the InChIKey of benzoyl bromide?
The InChIKey is AQIHMSVIAGNIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of benzoyl bromide?
benzoyl bromide has a molecular weight of 185.02 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl bromide is sourced from PubChem (CID 12056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).