Name: Name:1-(3-chloropyridin-2-yl)-5-(pentafluoroethyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGV6
Rating: 90 (10 reviews)

1-(3-chloropyridin-2-yl)-5-(pentafluoroethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1311316-34-3

Catalog Number:

AG01AGV6

Molecular Formula:

C11H5ClF5N3O2

Molecular Weight:

341.6213

Catalog Number:

AG01AGV6

Chemical Name:

1-(3-chloropyridin-2-yl)-5-(pentafluoroethyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1311316-34-3

Molecular Formula:

C11H5ClF5N3O2

Molecular Weight:

341.6213

MDL Number:

MFCD18483175

IUPAC Name:

1-(3-chloropyridin-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C11H5ClF5N3O2/c12-6-2-1-3-18-8(6)20-7(5(4-19-20)9(21)22)10(13,14)11(15,16)17/h1-4H,(H,21,22)

InChI Key:

SXHFMWCGGCPNRK-UHFFFAOYSA-N

SMILES:

Clc1cccnc1n1ncc(c1C(C(F)(F)F)(F)F)C(=O)O

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

341.622g/mol

Monoisotopic Mass:

340.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9