Name: Name:1-(2-chlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01A890
Rating: 90 (10 reviews)

1-(2-chlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:

1154372-69-6

Catalog Number:

AG01A890

Molecular Formula:

C12H12ClN3O2

Molecular Weight:

265.6956

Catalog Number:

AG01A890

Chemical Name:

1-(2-chlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid

CAS Number:

1154372-69-6

Molecular Formula:

C12H12ClN3O2

Molecular Weight:

265.6956

MDL Number:

MFCD12106503

IUPAC Name:

1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C12H12ClN3O2/c1-7(2)11-14-10(12(17)18)15-16(11)9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H,17,18)

InChI Key:

LVSSPVOKEFXJHF-UHFFFAOYSA-N

SMILES:

CC(c1nc(nn1c1ccccc1Cl)C(=O)O)C

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.697g/mol

Monoisotopic Mass:

265.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3