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98057-08-0 | 5,5''-Dibromo-2,2':5',2''-terthiophene
CAS No: 98057-08-0 Catalog No: AG003M8U MDL No:MFCD00219109
Product Description
Catalog Number:
AG003M8U
Chemical Name:
5,5''-Dibromo-2,2':5',2''-terthiophene
CAS Number:
98057-08-0
Molecular Formula:
C12H6Br2S3
Molecular Weight:
406.1790
MDL Number:
MFCD00219109
IUPAC Name:
2,5-bis(5-bromothiophen-2-yl)thiophene
InChI:
InChI=1S/C12H6Br2S3/c13-11-5-3-9(16-11)7-1-2-8(15-7)10-4-6-12(14)17-10/h1-6H
InChI Key:
KXFPYYJGYVYXIB-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)c1ccc(s1)c1ccc(s1)Br
NSC Number:
700236
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.798g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.168g/mol
Monoisotopic Mass:
403.8g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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