Name: Name:2-{[(2-nitrophenyl)methyl]sulfanyl}-5-(trifluoromethyl)pyridine
Brand: Angene
SKU: AG019URP
Rating: 90 (10 reviews)

2-{[(2-nitrophenyl)methyl]sulfanyl}-5-(trifluoromethyl)pyridine

CAS No.:

1118787-26-0

Catalog Number:

AG019URP

Molecular Formula:

C13H9F3N2O2S

Molecular Weight:

314.2830

Catalog Number:

AG019URP

Chemical Name:

2-{[(2-nitrophenyl)methyl]sulfanyl}-5-(trifluoromethyl)pyridine

CAS Number:

1118787-26-0

Molecular Formula:

C13H9F3N2O2S

Molecular Weight:

314.2830

MDL Number:

MFCD11857928

IUPAC Name:

2-[(2-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine

InChI:

InChI=1S/C13H9F3N2O2S/c14-13(15,16)10-5-6-12(17-7-10)21-8-9-3-1-2-4-11(9)18(19)20/h1-7H,8H2

InChI Key:

NSXOGDSLFIUHKQ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccccc1CSc1ccc(cn1)C(F)(F)F

Complexity:

362

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.282g/mol

Monoisotopic Mass:

314.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9