Home Carboxys (Trans,trans)-3,4-difluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

(Trans,trans)-3,4-difluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

CAS No.:
94840-77-4
Catalog Number:
AG00IIL6
Molecular Formula:
C22H30F2O2
Molecular Weight:
364.4692
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$213
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Product Description
Catalog Number:
AG00IIL6
Chemical Name:
(Trans,trans)-3,4-difluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
CAS Number:
94840-77-4
Molecular Formula:
C22H30F2O2
Molecular Weight:
364.4692
MDL Number:
MFCD30187304
IUPAC Name:
(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C22H30F2O2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-19-12-13-20(23)21(24)14-19/h12-18H,2-11H2,1H3
InChI Key:
SJQNBUFTRYMKET-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(c(c1)F)F
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.221g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.477g/mol
Monoisotopic Mass:
364.221g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7  
Properties