200,000+ products from a single source!
sales@angenechem.com
88108-19-4 | Benzoic acid, 4-[(4-bromobenzoyl)oxy]-3-methoxy-, 4-hexylphenyl ester
CAS No: 88108-19-4 Catalog No: AG004G2M MDL No:
Product Description
Catalog Number:
AG004G2M
Chemical Name:
Benzoic acid, 4-[(4-bromobenzoyl)oxy]-3-methoxy-, 4-hexylphenyl ester
CAS Number:
88108-19-4
Molecular Formula:
C27H27BrO5
Molecular Weight:
511.4043
IUPAC Name:
(4-hexylphenyl) 4-(4-bromobenzoyl)oxy-3-methoxybenzoate
InChI:
InChI=1S/C27H27BrO5/c1-3-4-5-6-7-19-8-15-23(16-9-19)32-27(30)21-12-17-24(25(18-21)31-2)33-26(29)20-10-13-22(28)14-11-20/h8-18H,3-7H2,1-2H3
InChI Key:
HYVDUEWIGXRHEK-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)OC(=O)c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)Br
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.104g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
511.412g/mol
Monoisotopic Mass:
510.104g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.