Name: Name:1-(2-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01A8E2
Rating: 90 (10 reviews)

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

CAS No.:

1154372-57-2

Catalog Number:

AG01A8E2

Molecular Formula:

C12H10ClN3O2

Molecular Weight:

263.6797

Catalog Number:

AG01A8E2

Chemical Name:

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

CAS Number:

1154372-57-2

Molecular Formula:

C12H10ClN3O2

Molecular Weight:

263.6797

MDL Number:

MFCD12106504

IUPAC Name:

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

InChI:

InChI=1S/C12H10ClN3O2/c13-8-3-1-2-4-9(8)16-11(7-5-6-7)14-10(15-16)12(17)18/h1-4,7H,5-6H2,(H,17,18)

InChI Key:

JJRBRDQMNYQRHA-UHFFFAOYSA-N

SMILES:

Clc1ccccc1n1nc(nc1C1CC1)C(=O)O

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.681g/mol

Monoisotopic Mass:

263.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7