200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 113701-92-1
113701-92-1 | Benzoic acid, 4-(heptyloxy)-, 4-[(2-fluorodecyl)oxy]phenyl ester
CAS No: 113701-92-1 Catalog No: AG0009DH MDL No:
Product Description
Catalog Number:
AG0009DH
Chemical Name:
Benzoic acid, 4-(heptyloxy)-, 4-[(2-fluorodecyl)oxy]phenyl ester
CAS Number:
113701-92-1
Molecular Formula:
C30H43FO4
Molecular Weight:
486.6584
IUPAC Name:
[4-(2-fluorodecoxy)phenyl] 4-heptoxybenzoate
InChI:
InChI=1S/C30H43FO4/c1-3-5-7-9-10-12-14-26(31)24-34-28-19-21-29(22-20-28)35-30(32)25-15-17-27(18-16-25)33-23-13-11-8-6-4-2/h15-22,26H,3-14,23-24H2,1-2H3
InChI Key:
GHYOZVNRKWLZLA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(COc1ccc(cc1)OC(=O)c1ccc(cc1)OCCCCCCC)F
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.315g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.668g/mol
Monoisotopic Mass:
486.315g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.