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27622-34-0 | Ethanone, 2-bromo-1-[2-chloro-3,4-bis(phenylmethoxy)phenyl]-
CAS No: 27622-34-0 Catalog No: AG002U9Z MDL No:
Product Description
Catalog Number:
AG002U9Z
Chemical Name:
Ethanone, 2-bromo-1-[2-chloro-3,4-bis(phenylmethoxy)phenyl]-
CAS Number:
27622-34-0
Molecular Formula:
C22H18BrClO3
Molecular Weight:
445.7335
IUPAC Name:
2-bromo-1-[2-chloro-3,4-bis(phenylmethoxy)phenyl]ethanone
InChI:
InChI=1S/C22H18BrClO3/c23-13-19(25)18-11-12-20(26-14-16-7-3-1-4-8-16)22(21(18)24)27-15-17-9-5-2-6-10-17/h1-12H,13-15H2
InChI Key:
IYMQOZHYYDCVNN-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1Cl)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.013g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.737g/mol
Monoisotopic Mass:
444.013g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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