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5-(2-Fluorophenyl)-4H-1,2,4-triazole-3-carbaldehyde

5-(2-Fluorophenyl)-4H-1,2,4-triazole-3-carbaldehyde - CAS 944897-38-5

Catalog:	BB041346
Product Name:	5-(2-Fluorophenyl)-4H-1,2,4-triazole-3-carbaldehyde
CAS:	944897-38-5
Synonyms:	3-(2-fluorophenyl)-1H-1,2,4-triazole-5-carboxaldehyde; 3-(2-fluorophenyl)-1H-1,2,4-triazole-5-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-fluorophenyl)-1H-1,2,4-triazole-5-carbaldehyde
Description:	5-(2-Fluorophenyl)-4H-1,2,4-triazole-3-carbaldehyde (CAS# 944897-38-5 ) is a useful research chemical.
Molecular Weight:	191.16
Molecular Formula:	C9H6FN3O
Canonical SMILES:	C1=CC=C(C(=C1)C2=NNC(=N2)C=O)F
InChI:	InChI=1S/C9H6FN3O/c10-7-4-2-1-3-6(7)9-11-8(5-14)12-13-9/h1-5H,(H,11,12,13)
InChI Key:	GYXJUVKOAMPPLZ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2558577-B1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-3540059-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.04948999
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.04948999
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5