Home Other Building Blocks 3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE

3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE

CAS No.:
71682-95-6
Catalog Number:
AG00FCC9
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
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Product Description
Catalog Number:
AG00FCC9
Chemical Name:
3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE
CAS Number:
71682-95-6
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
MDL Number:
MFCD02260804
IUPAC Name:
3-(2,4-difluorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5F2NO/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5H,3H2
InChI Key:
IHOQJCDNMJJLME-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1F)F
Properties
Complexity:
245  
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