Name: Name:3-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
Brand: Angene
SKU: AG01C4NH
Rating: 90 (10 reviews)

3-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile

CAS No.:

1099669-96-1

Catalog Number:

AG01C4NH

Molecular Formula:

C7H6F3N3O

Molecular Weight:

205.1372

Catalog Number:

AG01C4NH

Chemical Name:

3-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile

CAS Number:

1099669-96-1

Molecular Formula:

C7H6F3N3O

Molecular Weight:

205.1372

MDL Number:

MFCD11651099

IUPAC Name:

3-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]propanenitrile

InChI:

InChI=1S/C7H6F3N3O/c8-7(9,10)5-4-6(14)13(12-5)3-1-2-11/h1,3-4H2

InChI Key:

NIZRQHJUWBBXRG-UHFFFAOYSA-N

SMILES:

N#CCCN1N=C(CC1=O)C(F)(F)F

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.14g/mol

Monoisotopic Mass:

205.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5