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

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
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
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
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.14g/mol
Monoisotopic Mass:
205.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties