Name: Name:1-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid
Brand: Angene
SKU: AG01BHHT
Rating: 90 (10 reviews)

1-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid

CAS No.:

1492720-78-1

Catalog Number:

AG01BHHT

Molecular Formula:

C9H5Cl2N3O2

Molecular Weight:

258.0609

Catalog Number:

AG01BHHT

Chemical Name:

1-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid

CAS Number:

1492720-78-1

Molecular Formula:

C9H5Cl2N3O2

Molecular Weight:

258.0609

MDL Number:

MFCD21242752

IUPAC Name:

3-(2,6-dichlorophenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C9H5Cl2N3O2/c10-5-2-1-3-6(11)8(5)14-7(9(15)16)4-12-13-14/h1-4H,(H,15,16)

InChI Key:

STBIKUOVXBXXJV-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1n1nncc1C(=O)O)Cl

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.976g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.058g/mol

Monoisotopic Mass:

256.976g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5