200,000+ products from a single source!
sales@angenechem.com
79912-86-0 | Cyclohexanecarboxylic acid, 4-octyl-, 4-fluorophenyl ester, trans-
CAS No: 79912-86-0 Catalog No: AG005F6V MDL No:
Product Description
Catalog Number:
AG005F6V
Chemical Name:
Cyclohexanecarboxylic acid, 4-octyl-, 4-fluorophenyl ester, trans-
CAS Number:
79912-86-0
Molecular Formula:
C21H31FO2
Molecular Weight:
334.4680
IUPAC Name:
(4-fluorophenyl) 4-octylcyclohexane-1-carboxylate
InChI:
InChI=1S/C21H31FO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)21(23)24-20-15-13-19(22)14-16-20/h13-18H,2-12H2,1H3
InChI Key:
PHLIHTHZZLGEKX-UHFFFAOYSA-N
SMILES:
CCCCCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.231g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.475g/mol
Monoisotopic Mass:
334.231g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.