Name: Name:2,2,2-TRIFLUORO-1-(PYRIDIN-4-YL)ETHANONE HYDRATE
Brand: Angene
SKU: AG01EJU3
Rating: 90 (10 reviews)

2,2,2-TRIFLUORO-1-(PYRIDIN-4-YL)ETHANONE HYDRATE

CAS No.:

1956364-97-8

Catalog Number:

AG01EJU3

Molecular Formula:

C7H6F3NO2

Molecular Weight:

193.1232

Catalog Number:

AG01EJU3

Chemical Name:

2,2,2-TRIFLUORO-1-(PYRIDIN-4-YL)ETHANONE HYDRATE

CAS Number:

1956364-97-8

Molecular Formula:

C7H6F3NO2

Molecular Weight:

193.1232

IUPAC Name:

2,2,2-trifluoro-1-pyridin-4-ylethanone;hydrate

InChI:

InChI=1S/C7H4F3NO.H2O/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h1-4H;1H2

InChI Key:

IZGZVULVJAMILC-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)c1ccncc1.O

Complexity:

172

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.125g/mol

Monoisotopic Mass:

193.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: