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Home > Fluorides > 141285-25-8
141285-25-8 | Benzoic acid, 4-(10-undecen-1-yloxy)-, 4-[(2-fluorooctyl)oxy]phenyl ester
CAS No: 141285-25-8 Catalog No: AG001G67 MDL No:
Product Description
Catalog Number:
AG001G67
Chemical Name:
Benzoic acid, 4-(10-undecen-1-yloxy)-, 4-[(2-fluorooctyl)oxy]phenyl ester
CAS Number:
141285-25-8
Molecular Formula:
C32H45FO4
Molecular Weight:
512.6957
IUPAC Name:
[4-(2-fluorooctoxy)phenyl] 4-undec-10-enoxybenzoate
InChI:
InChI=1S/C32H45FO4/c1-3-5-7-9-10-11-12-13-15-25-35-29-19-17-27(18-20-29)32(34)37-31-23-21-30(22-24-31)36-26-28(33)16-14-8-6-4-2/h3,17-24,28H,1,4-16,25-26H2,2H3
InChI Key:
IVLCQXXIOCCJEC-UHFFFAOYSA-N
SMILES:
CCCCCCC(COc1ccc(cc1)OC(=O)c1ccc(cc1)OCCCCCCCCCC=C)F
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.33g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.706g/mol
Monoisotopic Mass:
512.33g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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