4-(2-bromoacetyl)benzoyl chloride

C9H6BrClO2 — CID 57372356

IUPAC4-(2-bromoacetyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)CBr)cc1
InChIInChI=1S/C9H6BrClO2/c10-5-8(12)6-1-3-7(4-2-6)9(11)13/h1-4H,5H2
InChIKeyIHQYMAKUCBRROU-UHFFFAOYSA-N
MW261.50 g/mol
LogP2.64
Rot. Bonds3

About 4-(2-bromoacetyl)benzoyl chloride

4-(2-bromoacetyl)benzoyl chloride (PubChem CID 57372356) has the molecular formula C9H6BrClO2 and a molecular weight of 261.50 g/mol. Its IUPAC name is 4-(2-bromoacetyl)benzoyl chloride.

Molecular Properties

Compound Name4-(2-bromoacetyl)benzoyl chloride
PubChem CID57372356
Molecular FormulaC9H6BrClO2
Molecular Weight261.50 g/mol
Exact Mass259.92
IUPAC Name4-(2-bromoacetyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)CBr)cc1
InChIInChI=1S/C9H6BrClO2/c10-5-8(12)6-1-3-7(4-2-6)9(11)13/h1-4H,5H2
InChIKeyIHQYMAKUCBRROU-UHFFFAOYSA-N
XLogP2.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoacetyl)benzoic acid
CID 2756836
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone
CID 22027058
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
2-bromo-1-[4-(sulfanylmethyl)phenyl]ethanone
CID 57052868
acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone
CID 158415531
bromomethane;2-bromo-1-phenylethanone;ethane
CID 90907138
CID 89115348
CID 89115348
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoacetyl)benzoyl chloride?
The IUPAC name of 4-(2-bromoacetyl)benzoyl chloride (CID 57372356) is 4-(2-bromoacetyl)benzoyl chloride.
What is the SMILES notation for 4-(2-bromoacetyl)benzoyl chloride?
The canonical SMILES for 4-(2-bromoacetyl)benzoyl chloride is O=C(Cl)c1ccc(C(=O)CBr)cc1.
What is the InChIKey of 4-(2-bromoacetyl)benzoyl chloride?
The InChIKey is IHQYMAKUCBRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO2/c10-5-8(12)6-1-3-7(4-2-6)9(11)13/h1-4H,5H2.
What are the key properties of 4-(2-bromoacetyl)benzoyl chloride?
4-(2-bromoacetyl)benzoyl chloride has a molecular weight of 261.50 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoacetyl)benzoyl chloride is sourced from PubChem (CID 57372356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).