Name: Name:1-[4-(difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGWD
Rating: 90 (10 reviews)

1-[4-(difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1020253-48-8

Catalog Number:

AG01AGWD

Molecular Formula:

C11H9F2N3O3

Molecular Weight:

269.2043

Catalog Number:

AG01AGWD

Chemical Name:

1-[4-(difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1020253-48-8

Molecular Formula:

C11H9F2N3O3

Molecular Weight:

269.2043

MDL Number:

MFCD09260343

IUPAC Name:

1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C11H9F2N3O3/c1-6-9(10(17)18)14-15-16(6)7-2-4-8(5-3-7)19-11(12)13/h2-5,11H,1H3,(H,17,18)

InChI Key:

GWJAQUCLJNJITA-UHFFFAOYSA-N

SMILES:

FC(Oc1ccc(cc1)n1nnc(c1C)C(=O)O)F

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.208g/mol

Monoisotopic Mass:

269.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5