Name: Name:1-(4-bromo-2-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AH9L
Rating: 90 (10 reviews)

1-(4-bromo-2-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1097809-53-4

Catalog Number:

AG01AH9L

Molecular Formula:

C10H7BrClN3O2

Molecular Weight:

316.5385

Catalog Number:

AG01AH9L

Chemical Name:

1-(4-bromo-2-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1097809-53-4

Molecular Formula:

C10H7BrClN3O2

Molecular Weight:

316.5385

MDL Number:

MFCD11644681

IUPAC Name:

1-(4-bromo-2-chlorophenyl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H7BrClN3O2/c1-5-9(10(16)17)13-14-15(5)8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,16,17)

InChI Key:

DAOWDERIBMSXDZ-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)Cl)n1nnc(c1C)C(=O)O

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.941g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.539g/mol

Monoisotopic Mass:

314.941g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9