CAS 28862-12-6 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-(phenylmethyl)- | CAS Number 28862-12-6

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28862-12-6 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-(phenylmethyl)-

CAS No: 28862-12-6 Catalog No: AG002WVM MDL No:MFCD08445693

Product Description

Catalog Number:

AG002WVM

Chemical Name:

1H-1,2,3-Triazole-4-carboxylic acid, 1-(phenylmethyl)-

CAS Number:

28862-12-6

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD08445693

IUPAC Name:

1-benzyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H9N3O2/c14-10(15)9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)

InChI Key:

MIGIDQCWBSDLTO-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1)Cc1ccccc1

Properties

Complexity:

229

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:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Targeting tuberculosis through a small focused library of 1,2,3-triazoles.	Molecular diversity 20111101
Synthesis and antibiotic activity of a small molecules library of 1,2,3-triazole derivatives.	Bioorganic & medicinal chemistry letters 20080201