2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (CHEBI:83711)

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CHEBI:83711 - 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol

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ChEBI ID	CHEBI:83711
ChEBI Name	2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Stars
ASCII Name	2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Definition	A member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups.
Last Modified	13 November 2014
Submitter	Gareth Owen
Downloads	Molfile

Formula	C14H17Cl2N3O
Net Charge	0
Average Mass	314.216
Monoisotopic Mass	313.07487
SMILES	CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChI	InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChIKey	STMIIPIFODONDC-UHFFFAOYSA-N

Roles Classification

chelator A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.

ChEBI Ontology

Outgoing Relation(s)
	2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (CHEBI:83711) has role chelator (CHEBI:38161)
	2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (CHEBI:83711) is a dichlorobenzene (CHEBI:23697)
	2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (CHEBI:83711) is a tertiary alcohol (CHEBI:26878)
	2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (CHEBI:83711) is a triazoles (CHEBI:35727)
Incoming Relation(s)
	(R)-hexaconazole (CHEBI:83712) is a 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (CHEBI:83711)
	(S)-hexaconazole (CHEBI:83713) is a 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (CHEBI:83711)

IUPAC Name
2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol

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