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17452-98-1

17452-98-1 | 1,3,4-Thiadiazole, 2,5-bis(4-bromophenyl)-

CAS No: 17452-98-1 Catalog No: AG001ZRP MDL No:

Product Description

Catalog Number:
AG001ZRP
Chemical Name:
1,3,4-Thiadiazole, 2,5-bis(4-bromophenyl)-
CAS Number:
17452-98-1
Molecular Formula:
C14H8Br2N2S
Molecular Weight:
396.0997
IUPAC Name:
2,5-bis(4-bromophenyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C14H8Br2N2S/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H
InChI Key:
OTWDQMWSVNMBRN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nnc(s1)c1ccc(cc1)Br

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.875g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.1g/mol
Monoisotopic Mass:
393.877g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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