Home Nitriles 4-(2,6-difluorophenyl)butanenitrile

4-(2,6-difluorophenyl)butanenitrile

CAS No.:
1057672-27-1
Catalog Number:
AG01C5J0
Molecular Formula:
C10H9F2N
Molecular Weight:
181.1820
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Product Description
Catalog Number:
AG01C5J0
Chemical Name:
4-(2,6-difluorophenyl)butanenitrile
CAS Number:
1057672-27-1
Molecular Formula:
C10H9F2N
Molecular Weight:
181.1820
MDL Number:
MFCD09744527
IUPAC Name:
4-(2,6-difluorophenyl)butanenitrile
InChI:
InChI=1S/C10H9F2N/c11-9-5-3-6-10(12)8(9)4-1-2-7-13/h3,5-6H,1-2,4H2
InChI Key:
ZGYOXFFRLYVGFO-UHFFFAOYSA-N
SMILES:
N#CCCCc1c(F)cccc1F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.186g/mol
Monoisotopic Mass:
181.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties