Name: Name:2-[6-hydroxy-5-(trifluoromethyl)pyridazin-3-yl]acetonitrile
Brand: Angene
SKU: AG019WYH
Rating: 90 (10 reviews)

2-[6-hydroxy-5-(trifluoromethyl)pyridazin-3-yl]acetonitrile

CAS No.:

866474-45-5

Catalog Number:

AG019WYH

Molecular Formula:

C7H4F3N3O

Molecular Weight:

203.1214

Catalog Number:

AG019WYH

Chemical Name:

2-[6-hydroxy-5-(trifluoromethyl)pyridazin-3-yl]acetonitrile

CAS Number:

866474-45-5

Molecular Formula:

C7H4F3N3O

Molecular Weight:

203.1214

MDL Number:

MFCD09396763

IUPAC Name:

2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]acetonitrile

InChI:

InChI=1S/C7H4F3N3O/c8-7(9,10)5-3-4(1-2-11)12-13-6(5)14/h3H,1H2,(H,13,14)

InChI Key:

ORJHOVVSZMQJMK-UHFFFAOYSA-N

SMILES:

N#CCc1nnc(c(c1)C(F)(F)F)O

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.124g/mol

Monoisotopic Mass:

203.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4