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288071-87-4

288071-87-4 | 2,1,3-Benzothiadiazole, 4,7-bis(5-bromo-2-thienyl)-

CAS No: 288071-87-4 Catalog No: AG002WL6 MDL No:MFCD16619295

Product Description

Catalog Number:
AG002WL6
Chemical Name:
2,1,3-Benzothiadiazole, 4,7-bis(5-bromo-2-thienyl)-
CAS Number:
288071-87-4
Molecular Formula:
C14H6Br2N2S3
Molecular Weight:
458.2138
MDL Number:
MFCD16619295
IUPAC Name:
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole
InChI:
InChI=1S/C14H6Br2N2S3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H
InChI Key:
ZIIMIGRZSUYQGW-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)c1ccc(c2c1nsn2)c1ccc(s1)Br

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.804g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.204g/mol
Monoisotopic Mass:
455.806g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  

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