4-(Azetidin-1-yl)benzonitrile

HCID 70080346

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Basic information

CAS: 162377-66-4
Standard SMILES: N#Cc1ccc(N2CCC2)cc1
InChIKey: KVOXUIQIFQLPFA-UHFFFAOYSA-N
Molecular formula: C10H10N2
Average molar mass: 158.2 g/mol
Monoisotopic mass: 158.08439832

Names & identifiers

Preferred name: 4-(Azetidin-1-yl)benzonitrile
IUPAC: 4-(azetidin-1-yl)benzonitrile

Names & synonyms

4-(Azetidin-1-yl)benzonitrile162377-66-4DTXSID40741667RefChem:288487DTXCID70692411Benzonitrile, 4-(1-azetidinyl)-4-(azetidinyl) benzonitrileSCHEMBL7402909A1-43286F6808-6951

Database identifiers

CAS: 162377-66-4
PubChem CID: 70080346
DTXSID: DTXSID40741667
Nikkaji: J817.607H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 27 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 191

Related reactions

1 records

New reaction record

HRID 431As product750 AstraZeneca ELN dataset

Compound notes

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