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158585-09-2 | Benzoic acid, 4-bromo-3,5-bis(phenylmethoxy)-, phenylmethyl ester
CAS No: 158585-09-2 Catalog No: AG001QBQ MDL No:
Product Description
Catalog Number:
AG001QBQ
Chemical Name:
Benzoic acid, 4-bromo-3,5-bis(phenylmethoxy)-, phenylmethyl ester
CAS Number:
158585-09-2
Molecular Formula:
C28H23BrO4
Molecular Weight:
503.3838
IUPAC Name:
benzyl 4-bromo-3,5-bis(phenylmethoxy)benzoate
InChI:
InChI=1S/C28H23BrO4/c29-27-25(31-18-21-10-4-1-5-11-21)16-24(28(30)33-20-23-14-8-3-9-15-23)17-26(27)32-19-22-12-6-2-7-13-22/h1-17H,18-20H2
InChI Key:
ZLYHJNXGDMKIEH-UHFFFAOYSA-N
SMILES:
O=C(c1cc(OCc2ccccc2)c(c(c1)OCc1ccccc1)Br)OCc1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.078g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.392g/mol
Monoisotopic Mass:
502.078g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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