Name: Name:2H-1,2,3-Triazole-4-carboxylic acid, 2-(3-chlorophenyl)-5-methyl-
Brand: Angene
SKU: AG001TCF
Rating: 90 (10 reviews)

2H-1,2,3-Triazole-4-carboxylic acid, 2-(3-chlorophenyl)-5-methyl-

CAS No.:

1627-90-3

Catalog Number:

AG001TCF

Molecular Formula:

C10H8ClN3O2

Molecular Weight:

237.6424

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Product Description

Catalog Number:

AG001TCF

Chemical Name:

2H-1,2,3-Triazole-4-carboxylic acid, 2-(3-chlorophenyl)-5-methyl-

CAS Number:

1627-90-3

Molecular Formula:

C10H8ClN3O2

Molecular Weight:

237.6424

MDL Number:

MFCD06373473

IUPAC Name:

2-(3-chlorophenyl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16)13-14(12-6)8-4-2-3-7(11)5-8/h2-5H,1H3,(H,15,16)

InChI Key:

QCHCGRZRBHMDMN-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)n1nc(c(n1)C)C(=O)O

Properties

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.643g/mol

Monoisotopic Mass:

237.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501