Name: Name:1-(4-bromo-2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AIKR
Rating: 90 (10 reviews)

1-(4-bromo-2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1099026-08-0

Catalog Number:

AG01AIKR

Molecular Formula:

C9H5BrClN3O2

Molecular Weight:

302.5119

Catalog Number:

AG01AIKR

Chemical Name:

1-(4-bromo-2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1099026-08-0

Molecular Formula:

C9H5BrClN3O2

Molecular Weight:

302.5119

MDL Number:

MFCD11644680

IUPAC Name:

1-(4-bromo-2-chlorophenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C9H5BrClN3O2/c10-5-1-2-8(6(11)3-5)14-4-7(9(15)16)12-13-14/h1-4H,(H,15,16)

InChI Key:

NTHKMFBVJIGCKX-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)Cl)n1nnc(c1)C(=O)O

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.925g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.512g/mol

Monoisotopic Mass:

300.925g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5