Name: Name:1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG019MFA
Rating: 90 (10 reviews)

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

CAS No.:

113934-32-0

Catalog Number:

AG019MFA

Molecular Formula:

C9H6ClN3O2

Molecular Weight:

223.6158

Catalog Number:

AG019MFA

Chemical Name:

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

CAS Number:

113934-32-0

Molecular Formula:

C9H6ClN3O2

Molecular Weight:

223.6158

MDL Number:

MFCD10686821

IUPAC Name:

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

InChI:

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

InChI Key:

OVGSNJOPTZYJNZ-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)n1nnc(c1)C(=O)O

Complexity:

244

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