Name: Name:2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)ACETONITRILE
Brand: Angene
SKU: AG00C1R1
Rating: 90 (10 reviews)

2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)ACETONITRILE

CAS No.:

306976-81-8

Catalog Number:

AG00C1R1

Molecular Formula:

C8H4ClF3N2S

Molecular Weight:

252.6440

Catalog Number:

AG00C1R1

Chemical Name:

2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)ACETONITRILE

CAS Number:

306976-81-8

Molecular Formula:

C8H4ClF3N2S

Molecular Weight:

252.6440

MDL Number:

MFCD00215247

IUPAC Name:

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile

InChI:

InChI=1S/C8H4ClF3N2S/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13/h3-4H,2H2

InChI Key:

KWHJLVBRXJHTRQ-UHFFFAOYSA-N

SMILES:

N#CCSc1ncc(cc1Cl)C(F)(F)F

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.639g/mol

Monoisotopic Mass:

251.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: