Name: Name:1-(2,6-dichlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01AAJL
Rating: 90 (10 reviews)

1-(2,6-dichlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:

1154206-19-5

Catalog Number:

AG01AAJL

Molecular Formula:

C12H11Cl2N3O2

Molecular Weight:

300.1406

Catalog Number:

AG01AAJL

Chemical Name:

1-(2,6-dichlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid

CAS Number:

1154206-19-5

Molecular Formula:

C12H11Cl2N3O2

Molecular Weight:

300.1406

MDL Number:

MFCD12694829

IUPAC Name:

1-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C12H11Cl2N3O2/c1-6(2)11-15-10(12(18)19)16-17(11)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3,(H,18,19)

InChI Key:

MJHINSZPNGBKAQ-UHFFFAOYSA-N

SMILES:

CC(c1nc(nn1c1c(Cl)cccc1Cl)C(=O)O)C

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.139g/mol

Monoisotopic Mass:

299.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9