1-Chloroprop-1-yne

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Basic information

CAS: 7747-84-4
Standard SMILES: CC#CCl
InChIKey: OMNGRPHPKWAMSY-UHFFFAOYSA-N
Molecular formula: C3H3Cl
Average molar mass: 74.51 g/mol
Monoisotopic mass: 73.9923278

Names & identifiers

Preferred name: 1-Chloroprop-1-yne
IUPAC: 1-chloroprop-1-yne

Names & synonyms

1-Chloroprop-1-yne7747-84-4DTXSID00228181RefChem:1055277DTXCID20150672CH3C.equiv.CCl1-CHLOROPROPYNE1-Propyne, 1-chloro-propynyl chloride1-Chloro-1-propyneSCHEMBL2051SCHEMBL2052

Show more names

OMNGRPHPKWAMSY-UHFFFAOYSA-N

Database identifiers

CAS: 7747-84-4
PubChem CID: 24427
DTXSID: DTXSID00228181
Nikkaji: J643.942J

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 52.2

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Related reactions

2 records

New reaction record

HRID 682128As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1797190As reactantuspto-grants-2006_04

Compound notes

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