CAS 825635-27-6 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(3-chlorophenyl)- | CAS Number 825635-27-6

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825635-27-6 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(3-chlorophenyl)-

CAS No: 825635-27-6 Catalog No: AG0053MB MDL No:MFCD10696369

Product Description

Catalog Number:

AG0053MB

Chemical Name:

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

CAS Number:

825635-27-6

Molecular Formula:

C9H6ClN3O

Molecular Weight:

207.6164

MDL Number:

MFCD10696369

IUPAC Name:

1-(3-chlorophenyl)triazole-4-carbaldehyde

InChI:

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

InChI Key:

OLKKYDRKBXSEOP-UHFFFAOYSA-N

SMILES:

O=Cc1nnn(c1)c1cccc(c1)Cl

Properties

Complexity:

214

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 and evaluation of new difluoromethyl azoles as antileishmanial agents.	European journal of medicinal chemistry 20070101
Synthesis, tuberculosis inhibitory activity, and SAR study of N-substituted-phenyl-1,2,3-triazole derivatives.	Bioorganic & medicinal chemistry 20061215