Name: Name:1-(4-bromophenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01BXS3
Rating: 90 (10 reviews)

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

CAS No.:

92425-18-8

Catalog Number:

AG01BXS3

Molecular Formula:

C15H10BrN3O2

Molecular Weight:

344.1628

Catalog Number:

AG01BXS3

Chemical Name:

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

CAS Number:

92425-18-8

Molecular Formula:

C15H10BrN3O2

Molecular Weight:

344.1628

MDL Number:

MFCD13378722

IUPAC Name:

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

InChI:

InChI=1S/C15H10BrN3O2/c16-11-6-8-12(9-7-11)19-14(10-4-2-1-3-5-10)17-13(18-19)15(20)21/h1-9H,(H,20,21)

InChI Key:

UOOYHABNJZCNTP-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)n1nc(nc1c1ccccc1)C(=O)O

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

342.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.168g/mol

Monoisotopic Mass:

342.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9