Name: Name:1-(3-fluorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01AJC3
Rating: 90 (10 reviews)

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

CAS No.:

1154371-22-8

Catalog Number:

AG01AJC3

Molecular Formula:

C12H12FN3O2

Molecular Weight:

249.2410

Catalog Number:

AG01AJC3

Chemical Name:

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

CAS Number:

1154371-22-8

Molecular Formula:

C12H12FN3O2

Molecular Weight:

249.2410

MDL Number:

MFCD12106521

IUPAC Name:

1-(3-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C12H12FN3O2/c1-7(2)11-14-10(12(17)18)15-16(11)9-5-3-4-8(13)6-9/h3-7H,1-2H3,(H,17,18)

InChI Key:

AWEGZPJXQJJULL-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)n1nc(nc1C(C)C)C(=O)O

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.245g/mol

Monoisotopic Mass:

249.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8