Name: Name:1H-Pyrazole-4-sulfonyl chloride, 1-[5-(trifluoromethyl)-2-pyridinyl]-
Brand: Angene
SKU: AG0002JU
Rating: 90 (10 reviews)

1H-Pyrazole-4-sulfonyl chloride, 1-[5-(trifluoromethyl)-2-pyridinyl]-

CAS No.:

1006441-36-6

Catalog Number:

AG0002JU

Molecular Formula:

C9H5ClF3N3O2S

Molecular Weight:

311.6681

Catalog Number:

AG0002JU

Chemical Name:

1H-Pyrazole-4-sulfonyl chloride, 1-[5-(trifluoromethyl)-2-pyridinyl]-

CAS Number:

1006441-36-6

Molecular Formula:

C9H5ClF3N3O2S

Molecular Weight:

311.6681

MDL Number:

MFCD08689729

IUPAC Name:

1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-sulfonyl chloride

InChI:

InChI=1S/C9H5ClF3N3O2S/c10-19(17,18)7-4-15-16(5-7)8-2-1-6(3-14-8)9(11,12)13/h1-5H

InChI Key:

ZACLAYCACGRQPN-UHFFFAOYSA-N

SMILES:

FC(c1ccc(nc1)n1ncc(c1)S(=O)(=O)Cl)(F)F

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.663g/mol

Monoisotopic Mass:

310.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1