CAS 113934-27-3 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-chlorophenyl)- | CAS Number 113934-27-3

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113934-27-3 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-chlorophenyl)-

CAS No: 113934-27-3 Catalog No: AG000A3S MDL No:MFCD01109282

Product Description

Catalog Number:

AG000A3S

Chemical Name:

1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-chlorophenyl)-

CAS Number:

113934-27-3

Molecular Formula:

C9H6ClN3O

Molecular Weight:

207.6164

MDL Number:

MFCD01109282

IUPAC Name:

1-(4-chlorophenyl)triazole-4-carbaldehyde

InChI:

InChI=1S/C9H6ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-6H

InChI Key:

QMQRIACXYRMOBZ-UHFFFAOYSA-N

SMILES:

O=Cc1nnn(c1)c1ccc(cc1)Cl

Properties

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.617g/mol

Monoisotopic Mass:

207.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Novel 1,2,3-triazole derivatives for use against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain.	Journal of medicinal chemistry 20110908
Synthesis, tuberculosis inhibitory activity, and SAR study of N-substituted-phenyl-1,2,3-triazole derivatives.	Bioorganic & medicinal chemistry 20061215