Name: Name:5-methyl-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01BCVG
Rating: 90 (10 reviews)

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

CAS No.:

1111881-70-9

Catalog Number:

AG01BCVG

Molecular Formula:

C12H10F3N3O2

Molecular Weight:

285.2219

Catalog Number:

AG01BCVG

Chemical Name:

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

CAS Number:

1111881-70-9

Molecular Formula:

C12H10F3N3O2

Molecular Weight:

285.2219

MDL Number:

MFCD28118237

IUPAC Name:

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

InChI:

InChI=1S/C12H10F3N3O2/c1-7-10(11(19)20)16-17-18(7)6-8-2-4-9(5-3-8)12(13,14)15/h2-5H,6H2,1H3,(H,19,20)

InChI Key:

YEJLVTLDKVKEEO-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)Cc1ccc(cc1)C(F)(F)F

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.226g/mol

Monoisotopic Mass:

285.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4