Name: Name:1-(1,1-difluoro-2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01EKXJ
Rating: 90 (10 reviews)

1-(1,1-difluoro-2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

2137586-19-5

Catalog Number:

AG01EKXJ

Molecular Formula:

C5H5F2N3O3

Molecular Weight:

193.1083

Catalog Number:

AG01EKXJ

Chemical Name:

1-(1,1-difluoro-2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

2137586-19-5

Molecular Formula:

C5H5F2N3O3

Molecular Weight:

193.1083

MDL Number:

MFCD31438823

IUPAC Name:

1-(1,1-difluoro-2-hydroxyethyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C5H5F2N3O3/c6-5(7,2-11)10-1-3(4(12)13)8-9-10/h1,11H,2H2,(H,12,13)

InChI Key:

XEZZHTSOIOUHHR-UHFFFAOYSA-N

SMILES:

OCC(n1nnc(c1)C(=O)O)(F)F

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.11g/mol

Monoisotopic Mass:

193.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5