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19728-29-1 | Benzene, 1,1'-(2,2,2-tribromoethylidene)bis[3,4-dimethoxy-
CAS No: 19728-29-1 Catalog No: AG002APN MDL No:
Product Description
Catalog Number:
AG002APN
Chemical Name:
Benzene, 1,1'-(2,2,2-tribromoethylidene)bis[3,4-dimethoxy-
CAS Number:
19728-29-1
Molecular Formula:
C18H19Br3O4
Molecular Weight:
539.0531
IUPAC Name:
1,2-dimethoxy-4-[2,2,2-tribromo-1-(3,4-dimethoxyphenyl)ethyl]benzene
InChI:
InChI=1S/C18H19Br3O4/c1-22-13-7-5-11(9-15(13)24-3)17(18(19,20)21)12-6-8-14(23-2)16(10-12)25-4/h5-10,17H,1-4H3
InChI Key:
FQISKYBWSMLFKA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(C(Br)(Br)Br)c1ccc(c(c1)OC)OC
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
537.881g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
539.058g/mol
Monoisotopic Mass:
535.883g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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