Name: Name:1-(4-bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01A86O
Rating: 90 (10 reviews)

1-(4-bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1221724-13-5

Catalog Number:

AG01A86O

Molecular Formula:

C10H5BrF3N3O2

Molecular Weight:

336.0648

Catalog Number:

AG01A86O

Chemical Name:

1-(4-bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1221724-13-5

Molecular Formula:

C10H5BrF3N3O2

Molecular Weight:

336.0648

MDL Number:

MFCD15209646

IUPAC Name:

1-(4-bromophenyl)-5-(trifluoromethyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C10H5BrF3N3O2/c11-5-1-3-6(4-2-5)17-8(10(12,13)14)7(9(18)19)15-16-17/h1-4H,(H,18,19)

InChI Key:

WJYFVXDTZMKXGZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C(F)(F)F)c1ccc(cc1)Br

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.952g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.068g/mol

Monoisotopic Mass:

334.952g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8