2-Propen-1-ol, 3-chloro-, (2E)-

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Basic information

CAS: 4643-05-4
Standard SMILES: OC/C=C/Cl
InChIKey: HJGHXDNIPAWLLE-OWOJBTEDSA-N
Molecular formula: C3H5ClO
Average molar mass: 92.52 g/mol
Monoisotopic mass: 92.0028925

Overview

Trans-3-chloroprop-2-en-1-ol is a 3-chloroprop-2-en-1-ol. It has a role as a mouse metabolite.

Names & identifiers

Preferred name: 2-Propen-1-ol, 3-chloro-, (2E)-
IUPAC: (E)-3-chloroprop-2-en-1-ol

Names & synonyms

4643-06-52-propen-1-ol, 3-chloro-, (2E)-RefChem:1064334trans-3-Chloroallyl alcohol(E)-3-chloroprop-2-en-1-ol(E)-3-chloro-2-propen-1-oltrans-3-Chloro-2-propene-1-ol(E)-3-chloroallyl alcohol(2E)-3-chloroprop-2-en-1-oltrans-3-chloroprop-2-en-1-ol4643-05-4MFCD01696254

Show more names

2-Propen-1-ol, 3-chloro- (6CI,7CI,8CI,9CI)(E)-3-Chloro-2-propen-1-ol (DISCONTINUED)(E)-3-Chloroallyl alcohol; trans-3-Chloro-2-propen-1-olstarbld0038994SCHEMBL385908SCHEMBL574493CCRIS 3544CCRIS 3545

Database identifiers

CAS: 4643-05-4、4643-06-5
PubChem CID: 287955
DTXSID: DTXSID40892042
ChEBI: CHEBI:28960
Nikkaji: J353.538J、J51.040H

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 33.9

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Related reactions

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Compound notes

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