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157891-77-5

157891-77-5 | 1-Propanone, 1,1'-(oxydi-4,1-phenylene)bis[2-bromo-2-methyl-

CAS No: 157891-77-5 Catalog No: AG001PSD MDL No:

Product Description

Catalog Number:
AG001PSD
Chemical Name:
1-Propanone, 1,1'-(oxydi-4,1-phenylene)bis[2-bromo-2-methyl-
CAS Number:
157891-77-5
Molecular Formula:
C20H20Br2O3
Molecular Weight:
468.1790
IUPAC Name:
2-bromo-1-[4-[4-(2-bromo-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
InChI:
InChI=1S/C20H20Br2O3/c1-19(2,21)17(23)13-5-9-15(10-6-13)25-16-11-7-14(8-12-16)18(24)20(3,4)22/h5-12H,1-4H3
InChI Key:
NLQYLAGTRCDBEY-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(C)C)c1ccc(cc1)Oc1ccc(cc1)C(=O)C(Br)(C)C

Properties

Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.976g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.185g/mol
Monoisotopic Mass:
465.978g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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