Ethyl 4-(1,2,4-Triazol-1-yl)benzoate - CAS 143426-48-6

Name: Ethyl 4-(1,2,4-Triazol-1-yl)benzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009599
Product Name:	Ethyl 4-(1,2,4-Triazol-1-yl)benzoate
CAS:	143426-48-6
Synonyms:	4-(1,2,4-triazol-1-yl)benzoic acid ethyl ester; ethyl 4-(1,2,4-triazol-1-yl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-(1,2,4-triazol-1-yl)benzoate
Description:	Ethyl 4-(1,2,4-Triazol-1-yl)benzoate (CAS# 143426-48-6) is a useful research chemical.
Molecular Weight:	217.22
Molecular Formula:	C11H11N3O2
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)N2C=NC=N2
InChI:	InChI=1S/C11H11N3O2/c1-2-16-11(15)9-3-5-10(6-4-9)14-8-12-7-13-14/h3-8H,2H2,1H3
InChI Key:	KDJUAOCGUGUBIN-UHFFFAOYSA-N
Boiling Point:	378.5 °C at 760 mmHg
Density:	1.23 g/cm³
LogP:	1.44400

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
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[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
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[55441-25-3]C8H7N3O
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Publication Number	Title	Priority Date
CA-2287292-A1	Sulfonamide derivatives, their production and use	19970530
DE-69835430-T2	Sulphonamide derivatives, their preparation and their use	19970530
EP-0986551-A1	Sulfonamide derivatives, their production and use	19970530
EP-0986551-B1	Sulfonamide derivatives, their production and use	19970530
JP-H11236372-A	Sulfonamide derivative, method for producing the same and agent	19970530

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.085126602
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.085126602
Rotatable Bond Count:	4
Topological Polar Surface Area:	57
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9