Name: Name:2-Furancarboxylicacid, 5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-
Brand: Angene
SKU: AG007MWH
Rating: 90 (10 reviews)

2-Furancarboxylicacid, 5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-

CAS No.:

238742-86-4

Catalog Number:

AG007MWH

Molecular Formula:

C12H8F3NO3S

Molecular Weight:

303.2570

Catalog Number:

AG007MWH

Chemical Name:

2-Furancarboxylicacid, 5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-

CAS Number:

238742-86-4

Molecular Formula:

C12H8F3NO3S

Molecular Weight:

303.2570

MDL Number:

MFCD00099971

IUPAC Name:

5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

InChI:

InChI=1S/C12H8F3NO3S/c13-12(14,15)7-1-4-10(16-5-7)20-6-8-2-3-9(19-8)11(17)18/h1-5H,6H2,(H,17,18)

InChI Key:

MYDIGMNTURCKBI-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(o1)CSc1ccc(cn1)C(F)(F)F

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.255g/mol

Monoisotopic Mass:

303.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: