Name: Name:1-[(2,4-difluorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01BDC5
Rating: 90 (10 reviews)

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

CAS No.:

1351847-63-6

Catalog Number:

AG01BDC5

Molecular Formula:

C11H9F2N3O2

Molecular Weight:

253.2049

Catalog Number:

AG01BDC5

Chemical Name:

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

CAS Number:

1351847-63-6

Molecular Formula:

C11H9F2N3O2

Molecular Weight:

253.2049

MDL Number:

MFCD17451945

IUPAC Name:

1-[(2,4-difluorophenyl)methyl]-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C11H9F2N3O2/c1-6-10(11(17)18)14-15-16(6)5-7-2-3-8(12)4-9(7)13/h2-4H,5H2,1H3,(H,17,18)

InChI Key:

RVEFZGIMFQVYCE-UHFFFAOYSA-N

SMILES:

Fc1ccc(c(c1)F)Cn1nnc(c1C)C(=O)O

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.209g/mol

Monoisotopic Mass:

253.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7