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90311-39-0 | Cyclohexanecarboxylic acid, 4-pentyl-, 2-fluoro-4-pentylphenyl ester
CAS No: 90311-39-0 Catalog No: AG006FWM MDL No:
Product Description
Catalog Number:
AG006FWM
Chemical Name:
Cyclohexanecarboxylic acid, 4-pentyl-, 2-fluoro-4-pentylphenyl ester
CAS Number:
90311-39-0
Molecular Formula:
C23H35FO2
Molecular Weight:
362.5212
IUPAC Name:
(2-fluoro-4-pentylphenyl) 4-pentylcyclohexane-1-carboxylate
InChI:
InChI=1S/C23H35FO2/c1-3-5-7-9-18-11-14-20(15-12-18)23(25)26-22-16-13-19(17-21(22)24)10-8-6-4-2/h13,16-18,20H,3-12,14-15H2,1-2H3
InChI Key:
AWWXAJPZIHTBHP-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1F)CCCCC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.262g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.529g/mol
Monoisotopic Mass:
362.262g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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