CAS 133902-64-4 | 1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde | CAS Number 133902-64-4

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133902-64-4 | 1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde

CAS No: 133902-64-4 Catalog No: AG019Z7N MDL No:MFCD20483327

Product Description

Catalog Number:

AG019Z7N

Chemical Name:

1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde

CAS Number:

133902-64-4

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD20483327

IUPAC Name:

1-(4-methoxyphenyl)triazole-4-carbaldehyde

InChI:

InChI=1S/C10H9N3O2/c1-15-10-4-2-9(3-5-10)13-6-8(7-14)11-12-13/h2-7H,1H3

InChI Key:

KQTUSCSEMYSWFX-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)n1nnc(c1)C=O

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.201g/mol

Monoisotopic Mass:

203.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

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