Home Other Building Blocks 4-Cyano-3,5-difluorophenyl 4-pentyl-benzoate

4-Cyano-3,5-difluorophenyl 4-pentyl-benzoate

CAS No.:
123843-69-6
Catalog Number:
AG000L5Q
Molecular Formula:
C19H17F2NO2
Molecular Weight:
329.3406
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$163
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Product Description
Catalog Number:
AG000L5Q
Chemical Name:
4-Cyano-3,5-difluorophenyl 4-pentyl-benzoate
CAS Number:
123843-69-6
Molecular Formula:
C19H17F2NO2
Molecular Weight:
329.3406
MDL Number:
MFCD11053375
IUPAC Name:
(4-cyano-3,5-difluorophenyl) 4-pentylbenzoate
InChI:
InChI=1S/C19H17F2NO2/c1-2-3-4-5-13-6-8-14(9-7-13)19(23)24-15-10-17(20)16(12-22)18(21)11-15/h6-11H,2-5H2,1H3
InChI Key:
ZSDURCFSQJERPJ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)Oc1cc(F)c(c(c1)F)C#N
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.123g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.347g/mol
Monoisotopic Mass:
329.123g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties