Name: Name:4-bromo-2-(1H-1,2,4-triazol-1-yl)benzoic acid
Brand: Angene
SKU: AG019WWS
Rating: 90 (10 reviews)

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

CAS No.:

1099687-28-1

Catalog Number:

AG019WWS

Molecular Formula:

C9H6BrN3O2

Molecular Weight:

268.0668

Catalog Number:

AG019WWS

Chemical Name:

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

CAS Number:

1099687-28-1

Molecular Formula:

C9H6BrN3O2

Molecular Weight:

268.0668

MDL Number:

MFCD11651838

IUPAC Name:

4-bromo-2-(1,2,4-triazol-1-yl)benzoic acid

InChI:

InChI=1S/C9H6BrN3O2/c10-6-1-2-7(9(14)15)8(3-6)13-5-11-4-12-13/h1-5H,(H,14,15)

InChI Key:

WTEPQFGPVWZUCL-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)n1cncn1)C(=O)O

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.07g/mol

Monoisotopic Mass:

266.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9