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951771-28-1 | 4-Bromo-2-((5-bromo-2-methoxyphenyl)(4-bromophenyl )methyl)-1-methoxybenzene
CAS No: 951771-28-1 Catalog No: AG01EZLM MDL No:
Product Description
Catalog Number:
AG01EZLM
Chemical Name:
4-Bromo-2-((5-bromo-2-methoxyphenyl)(4-bromophenyl )methyl)-1-methoxybenzene
CAS Number:
951771-28-1
Molecular Formula:
C21H17Br3O2
Molecular Weight:
541.0705
IUPAC Name:
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
InChI:
InChI=1S/C21H17Br3O2/c1-25-19-9-7-15(23)11-17(19)21(13-3-5-14(22)6-4-13)18-12-16(24)8-10-20(18)26-2/h3-12,21H,1-2H3
InChI Key:
ILSVCHWZQGLOQI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(c1cc(Br)ccc1OC)c1ccc(cc1)Br)Br
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.876g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
541.077g/mol
Monoisotopic Mass:
537.878g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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