Home Nitriles 3-(3,5-Difluorophenyl);-3-oxopropanenitrile

3-(3,5-Difluorophenyl);-3-oxopropanenitrile

CAS No.:
842140-51-6
Catalog Number:
AG008GN2
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
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Product Description
Catalog Number:
AG008GN2
Chemical Name:
3-(3,5-Difluorophenyl);-3-oxopropanenitrile
CAS Number:
842140-51-6
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
MDL Number:
MFCD02260784
IUPAC Name:
3-(3,5-difluorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5F2NO/c10-7-3-6(4-8(11)5-7)9(13)1-2-12/h3-5H,1H2
InChI Key:
YNNWBLSXFFMWQX-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cc(F)cc(c1)F
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.142g/mol
Monoisotopic Mass:
181.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties