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1221342-57-9

1221342-57-9 | 1,2,4-Thiadiazole, 3-[(4-bromophenyl)methyl]-5-chloro-

CAS No: 1221342-57-9 Catalog No: AG0016TV MDL No:MFCD14707317

Product Description

Catalog Number:
AG0016TV
Chemical Name:
1,2,4-Thiadiazole, 3-[(4-bromophenyl)methyl]-5-chloro-
CAS Number:
1221342-57-9
Molecular Formula:
C9H6BrClN2S
Molecular Weight:
289.5793
MDL Number:
MFCD14707317
IUPAC Name:
3-[(4-bromophenyl)methyl]-5-chloro-1,2,4-thiadiazole
InChI:
InChI=1S/C9H6BrClN2S/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2
InChI Key:
LEYCYYNCIIEIHN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cc1nsc(n1)Cl

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.912g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.575g/mol
Monoisotopic Mass:
287.912g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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