Name: Name:2-(4-fluorophenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG019V5Y
Rating: 90 (10 reviews)

2-(4-fluorophenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid

CAS No.:

338748-46-2

Catalog Number:

AG019V5Y

Molecular Formula:

C10H8FN3O2

Molecular Weight:

221.1878

Catalog Number:

AG019V5Y

Chemical Name:

2-(4-fluorophenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid

CAS Number:

338748-46-2

Molecular Formula:

C10H8FN3O2

Molecular Weight:

221.1878

MDL Number:

MFCD00974813

IUPAC Name:

2-(4-fluorophenyl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H8FN3O2/c1-6-9(10(15)16)13-14(12-6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)

InChI Key:

KCRVIJNGPBZBGH-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)n1nc(c(n1)C)C(=O)O

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.191g/mol

Monoisotopic Mass:

221.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3