200,000+ products from a single source!

sales@angenechem.com

Home > Fluorides > 122454-46-0

122454-46-0

122454-46-0 | Benzenepropanenitrile, β-oxo-4-(trifluoromethoxy)-

CAS No: 122454-46-0 Catalog No: AG00179K MDL No:MFCD00052146

Product Description

Catalog Number:
AG00179K
Chemical Name:
Benzenepropanenitrile, β-oxo-4-(trifluoromethoxy)-
CAS Number:
122454-46-0
Molecular Formula:
C10H6F3NO2
Molecular Weight:
229.1553
MDL Number:
MFCD00052146
IUPAC Name:
3-oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile
InChI:
InChI=1S/C10H6F3NO2/c11-10(12,13)16-8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2
InChI Key:
IYZQGBBCANKWMX-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)OC(F)(F)F

Properties

Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.158g/mol
Monoisotopic Mass:
229.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

© 2019 Angene International Limited. All rights Reserved.