Name: Name:5-Phenyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG008K1R
Rating: 90 (10 reviews)

5-Phenyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

830-78-4

Catalog Number:

AG008K1R

Molecular Formula:

C9H7N3O2

Molecular Weight:

189.1708

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Product Description

Catalog Number:

AG008K1R

Chemical Name:

5-Phenyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

830-78-4

Molecular Formula:

C9H7N3O2

Molecular Weight:

189.1708

MDL Number:

MFCD22053801

IUPAC Name:

5-phenyl-2H-triazole-4-carboxylic acid

InChI:

InChI=1S/C9H7N3O2/c13-9(14)8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,10,11,12)

InChI Key:

KZVFXYXQNAYXFT-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn[nH]c1c1ccccc1

Properties

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.174g/mol

Monoisotopic Mass:

189.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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

Properties