200,000+ products from a single source!
sales@angenechem.com
88268-78-4 | Benzoic acid, 3-chloro-4-[(4-pentylbenzoyl)oxy]-, 4-fluorophenyl ester
CAS No: 88268-78-4 Catalog No: AG0049YN MDL No:
Product Description
Catalog Number:
AG0049YN
Chemical Name:
Benzoic acid, 3-chloro-4-[(4-pentylbenzoyl)oxy]-, 4-fluorophenyl ester
CAS Number:
88268-78-4
Molecular Formula:
C25H22ClFO4
Molecular Weight:
440.8912
IUPAC Name:
(4-fluorophenyl) 3-chloro-4-(4-pentylbenzoyl)oxybenzoate
InChI:
InChI=1S/C25H22ClFO4/c1-2-3-4-5-17-6-8-18(9-7-17)24(28)31-23-15-10-19(16-22(23)26)25(29)30-21-13-11-20(27)12-14-21/h6-16H,2-5H2,1H3
InChI Key:
AYJFUNPYARUBSP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc(cc1)F
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.119g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.895g/mol
Monoisotopic Mass:
440.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^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.