3-Butenenitrile, 3-chloro-

HCID 548690

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Basic information

CAS: 21031-46-9
Standard SMILES: C=C(Cl)CC#N
InChIKey: OLUOHHXYBBNVPD-UHFFFAOYSA-N
Molecular formula: C4H4ClN
Average molar mass: 101.53 g/mol
Monoisotopic mass: 101.0032268

Names & identifiers

Preferred name: 3-Butenenitrile, 3-chloro-
IUPAC: 3-chlorobut-3-enenitrile

Names & synonyms

3-Butenenitrile, 3-chloro-21031-46-9DTXSID10338361RefChem:277890DTXCID70289446OLUOHHXYBBNVPD-UHFFFAOYSA-N3-chlorobut-3-enenitrile3-chloro-3-butenonitrile3-Chloro-3-butenenitrile #SCHEMBL7999169AKOS000179209

Database identifiers

CAS: 21031-46-9
PubChem CID: 548690
DTXSID: DTXSID10338361

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 97.4

Related reactions

1 records

New reaction record

HRID 1770003As productuspto-grants-1995_01

Compound notes

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