Name: Name:2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxylic acid
Brand: Angene
SKU: AG01AH9J
Rating: 90 (10 reviews)

2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxylic acid

CAS No.:

1247787-20-7

Catalog Number:

AG01AH9J

Molecular Formula:

C8H6F3NO2S

Molecular Weight:

237.1989

Catalog Number:

AG01AH9J

Chemical Name:

2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxylic acid

CAS Number:

1247787-20-7

Molecular Formula:

C8H6F3NO2S

Molecular Weight:

237.1989

MDL Number:

MFCD14620439

IUPAC Name:

2-(2,2,2-trifluoroethylsulfanyl)pyridine-4-carboxylic acid

InChI:

InChI=1S/C8H6F3NO2S/c9-8(10,11)4-15-6-3-5(7(13)14)1-2-12-6/h1-3H,4H2,(H,13,14)

InChI Key:

XWUYLFRFETWQFS-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccnc(c1)SCC(F)(F)F

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.196g/mol

Monoisotopic Mass:

237.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3