Name: Name:1-[2-(4-fluorophenoxy)ethyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01B8SP
Rating: 90 (10 reviews)

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

CAS No.:

1266821-37-7

Catalog Number:

AG01B8SP

Molecular Formula:

C12H12FN3O3

Molecular Weight:

265.2404

Catalog Number:

AG01B8SP

Chemical Name:

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

CAS Number:

1266821-37-7

Molecular Formula:

C12H12FN3O3

Molecular Weight:

265.2404

MDL Number:

MFCD17023560

IUPAC Name:

1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C12H12FN3O3/c1-8-11(12(17)18)14-15-16(8)6-7-19-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,17,18)

InChI Key:

ZKCVBKGMJBKZHU-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)CCOc1ccc(cc1)F

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.244g/mol

Monoisotopic Mass:

265.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6