Name: Name:5-(tert-butyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01D9TJ
Rating: 90 (10 reviews)

5-(tert-butyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:

261510-86-5

Catalog Number:

AG01D9TJ

Molecular Formula:

C14H13Cl3N2O2

Molecular Weight:

347.6242

Catalog Number:

AG01D9TJ

Chemical Name:

5-(tert-butyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxylic acid

CAS Number:

261510-86-5

Molecular Formula:

C14H13Cl3N2O2

Molecular Weight:

347.6242

MDL Number:

MFCD00207925

IUPAC Name:

5-tert-butyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C14H13Cl3N2O2/c1-14(2,3)11-6-10(13(20)21)18-19(11)12-8(16)4-7(15)5-9(12)17/h4-6H,1-3H3,(H,20,21)

InChI Key:

IXDFRPHHIPAFDD-UHFFFAOYSA-N

SMILES:

Clc1cc(Cl)c(c(c1)Cl)n1nc(cc1C(C)(C)C)C(=O)O

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

347.62g/mol

Monoisotopic Mass:

346.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3