1-(4-Chlorobenzoyl)aziridine

HCID 245027

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 19117-21-6
Standard SMILES: O=C(c1ccc(Cl)cc1)N1CC1
InChIKey: AIUPDSQLYGAORJ-UHFFFAOYSA-N
Molecular formula: C9H8ClNO
Average molar mass: 181.62 g/mol
Monoisotopic mass: 181.02944156

Names & identifiers

Preferred name: 1-(4-Chlorobenzoyl)aziridine
IUPAC: aziridin-1-yl-(4-chlorophenyl)methanone

Names & synonyms

1-(4-Chlorobenzoyl)aziridine19117-21-6WE23FHW73HNSC 56497NSC-56497DTXSID801726381-(P-CHLOROBENZOYL)AZIRIDINEMETHANONE, 1-AZIRIDINYL(4-CHLOROPHENYL)-RefChem:74440DTXCID5095129NSC56497UNII-WE23FHW73H

Show more names

p-chlorobenzoylaziridineaziridin-1-yl-(4-chlorophenyl)methanonep-chlorobenzoylethylenimineSCHEMBL9585721AIUPDSQLYGAORJ-UHFFFAOYSA-N(Aziridin-1-yl)(4-chlorophenyl)methanoneDB-102673

Database identifiers

CAS: 19117-21-6
PubChem CID: 245027
DTXSID: DTXSID80172638
UNII: WE23FHW73H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 183

Related reactions

4 records

New reaction record

HRID 437624As reactantuspto-grants-1977_06

HRID 702472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 819599As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2057461As reactantuspto-grants-1980_07

Compound notes

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