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88278-11-9 | Ethanone, 1-[4-bromo-2,5-bis(phenylmethoxy)phenyl]-
CAS No: 88278-11-9 Catalog No: AG0049L4 MDL No:
Product Description
Catalog Number:
AG0049L4
Chemical Name:
Ethanone, 1-[4-bromo-2,5-bis(phenylmethoxy)phenyl]-
CAS Number:
88278-11-9
Molecular Formula:
C22H19BrO3
Molecular Weight:
411.2885
IUPAC Name:
1-[4-bromo-2,5-bis(phenylmethoxy)phenyl]ethanone
InChI:
InChI=1S/C22H19BrO3/c1-16(24)19-12-22(26-15-18-10-6-3-7-11-18)20(23)13-21(19)25-14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3
InChI Key:
YQVKLVQWVZRBCZ-UHFFFAOYSA-N
SMILES:
Brc1cc(OCc2ccccc2)c(cc1OCc1ccccc1)C(=O)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.052g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.295g/mol
Monoisotopic Mass:
410.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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