Name: Name:1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AK5I
Rating: 90 (10 reviews)

1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

113934-33-1

Catalog Number:

AG01AK5I

Molecular Formula:

C10H6F3N3O2

Molecular Weight:

257.1687

Catalog Number:

AG01AK5I

Chemical Name:

1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

113934-33-1

Molecular Formula:

C10H6F3N3O2

Molecular Weight:

257.1687

MDL Number:

MFCD10696377

IUPAC Name:

1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid

InChI:

InChI=1S/C10H6F3N3O2/c11-10(12,13)6-2-1-3-7(4-6)16-5-8(9(17)18)14-15-16/h1-5H,(H,17,18)

InChI Key:

BWGYSLOUFDNBHC-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1)c1cccc(c1)C(F)(F)F

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.172g/mol

Monoisotopic Mass:

257.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1