3-(2-bromoethyl)-2-chlorobenzoyl chloride

C9H7BrCl2O — CID 175375032

IUPAC3-(2-bromoethyl)-2-chlorobenzoyl chloride
SMILESO=C(Cl)c1cccc(CCBr)c1Cl
InChIInChI=1S/C9H7BrCl2O/c10-5-4-6-2-1-3-7(8(6)11)9(12)13/h1-3H,4-5H2
InChIKeyUFSRZGIUGWHFKN-UHFFFAOYSA-N
MW281.96 g/mol
LogP3.66
Rot. Bonds3

About 3-(2-bromoethyl)-2-chlorobenzoyl chloride

3-(2-bromoethyl)-2-chlorobenzoyl chloride (PubChem CID 175375032) has the molecular formula C9H7BrCl2O and a molecular weight of 281.96 g/mol. Its IUPAC name is 3-(2-bromoethyl)-2-chlorobenzoyl chloride.

Molecular Properties

Compound Name3-(2-bromoethyl)-2-chlorobenzoyl chloride
PubChem CID175375032
Molecular FormulaC9H7BrCl2O
Molecular Weight281.96 g/mol
Exact Mass279.91
IUPAC Name3-(2-bromoethyl)-2-chlorobenzoyl chloride
SMILESO=C(Cl)c1cccc(CCBr)c1Cl
InChIInChI=1S/C9H7BrCl2O/c10-5-4-6-2-1-3-7(8(6)11)9(12)13/h1-3H,4-5H2
InChIKeyUFSRZGIUGWHFKN-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-(2-bromoethyl)-2-fluorobenzoic acid
CID 174686593
2-(iodomethyl)benzoyl chloride
CID 89345303
2-[2-(2-bromoethyl)phenyl]-2-oxoacetic acid
CID 174329046
2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid
CID 134656304
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(aminomethyl)benzoyl chloride
CID 82503183
3-(2-carbonochloridoylphenyl)propanoic acid
CID 45081979
2-(3-carbamoyl-2-chlorophenyl)acetic acid
CID 71239300
methyl 2-chloro-3-(3-methoxy-3-oxopropyl)benzoate
CID 134648997
3-butylbenzene-1,2-dicarbonyl chloride
CID 18925831
3-(fluoromethyl)-2-methylbenzoyl chloride
CID 141403868
1-bromo-3-(2-chloro-3-ethylphenyl)propan-2-one
CID 134616222

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-2-chlorobenzoyl chloride?
The IUPAC name of 3-(2-bromoethyl)-2-chlorobenzoyl chloride (CID 175375032) is 3-(2-bromoethyl)-2-chlorobenzoyl chloride.
What is the SMILES notation for 3-(2-bromoethyl)-2-chlorobenzoyl chloride?
The canonical SMILES for 3-(2-bromoethyl)-2-chlorobenzoyl chloride is O=C(Cl)c1cccc(CCBr)c1Cl.
What is the InChIKey of 3-(2-bromoethyl)-2-chlorobenzoyl chloride?
The InChIKey is UFSRZGIUGWHFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2O/c10-5-4-6-2-1-3-7(8(6)11)9(12)13/h1-3H,4-5H2.
What are the key properties of 3-(2-bromoethyl)-2-chlorobenzoyl chloride?
3-(2-bromoethyl)-2-chlorobenzoyl chloride has a molecular weight of 281.96 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-2-chlorobenzoyl chloride is sourced from PubChem (CID 175375032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).