Name: Name:2-(2H-1,2,3-triazol-2-yl)-4-(trifluoromethyl)benzoic acid
Brand: Angene
SKU: AG01BI0X
Rating: 90 (10 reviews)

2-(2H-1,2,3-triazol-2-yl)-4-(trifluoromethyl)benzoic acid

CAS No.:

1435479-65-4

Catalog Number:

AG01BI0X

Molecular Formula:

C10H6F3N3O2

Molecular Weight:

257.1687

Catalog Number:

AG01BI0X

Chemical Name:

2-(2H-1,2,3-triazol-2-yl)-4-(trifluoromethyl)benzoic acid

CAS Number:

1435479-65-4

Molecular Formula:

C10H6F3N3O2

Molecular Weight:

257.1687

MDL Number:

MFCD28967297

IUPAC Name:

2-(triazol-2-yl)-4-(trifluoromethyl)benzoic acid

InChI:

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

InChI Key:

CGKBZXPNVPNXJF-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1n1nccn1)C(F)(F)F

Complexity:

318

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:

2.3