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161299-90-7 | Thiophene, 2,2',2''-(1,3,5-benzenetriyl)tris[5-bromo-
CAS No: 161299-90-7 Catalog No: AG001SAR MDL No:
Product Description
Catalog Number:
AG001SAR
Chemical Name:
Thiophene, 2,2',2''-(1,3,5-benzenetriyl)tris[5-bromo-
CAS Number:
161299-90-7
Molecular Formula:
C18H9Br3S3
Molecular Weight:
561.1711
IUPAC Name:
2-[3,5-bis(5-bromothiophen-2-yl)phenyl]-5-bromothiophene
InChI:
InChI=1S/C18H9Br3S3/c19-16-4-1-13(22-16)10-7-11(14-2-5-17(20)23-14)9-12(8-10)15-3-6-18(21)24-15/h1-9H
InChI Key:
WAMNMWZTMRFWCM-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)c1cc(cc(c1)c1ccc(s1)Br)c1ccc(s1)Br
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
559.74g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
561.162g/mol
Monoisotopic Mass:
557.742g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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