Name: Name:1-(3-chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AFEU
Rating: 90 (10 reviews)

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

CAS No.:

944901-58-0

Catalog Number:

AG01AFEU

Molecular Formula:

C9H6ClN3O2

Molecular Weight:

223.6158

Catalog Number:

AG01AFEU

Chemical Name:

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

CAS Number:

944901-58-0

Molecular Formula:

C9H6ClN3O2

Molecular Weight:

223.6158

MDL Number:

MFCD10696379

IUPAC Name:

1-(3-chlorophenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C9H6ClN3O2/c10-6-2-1-3-7(4-6)13-5-8(9(14)15)11-12-13/h1-5H,(H,14,15)

InChI Key:

OEXGDURKRPWFBF-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)n1nnc(c1)C(=O)O

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.616g/mol

Monoisotopic Mass:

223.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8