Home Other Building Blocks 4-Cyano-3-fluorophenyl-4-heptylbenzoate

4-Cyano-3-fluorophenyl-4-heptylbenzoate

CAS No.:
86776-54-7
Catalog Number:
AG003916
Molecular Formula:
C21H22FNO2
Molecular Weight:
339.4033
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$653
- +
Product Description
Catalog Number:
AG003916
Chemical Name:
4-Cyano-3-fluorophenyl-4-heptylbenzoate
CAS Number:
86776-54-7
Molecular Formula:
C21H22FNO2
Molecular Weight:
339.4033
MDL Number:
MFCD17019212
IUPAC Name:
(4-cyano-3-fluorophenyl) 4-heptylbenzoate
InChI:
InChI=1S/C21H22FNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21(24)25-19-13-12-18(15-23)20(22)14-19/h8-14H,2-7H2,1H3
InChI Key:
BJTUQNRKEMWBHS-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N
EC Number:
617-919-3
Properties
Complexity:
450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.163g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.41g/mol
Monoisotopic Mass:
339.163g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7  
Properties