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444157-02-2 | 2-(2-Bromo-phenyl)-5-(2,6-dichloro-benzylsulfanyl)-[1,3,4]oxadiazole
CAS No: 444157-02-2 Catalog No: AG01EW0R MDL No:
Product Description
Catalog Number:
AG01EW0R
Chemical Name:
2-(2-Bromo-phenyl)-5-(2,6-dichloro-benzylsulfanyl)-[1,3,4]oxadiazole
CAS Number:
444157-02-2
Molecular Formula:
C15H9BrCl2N2OS
Molecular Weight:
416.1198
IUPAC Name:
2-(2-bromophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C15H9BrCl2N2OS/c16-11-5-2-1-4-9(11)14-19-20-15(21-14)22-8-10-12(17)6-3-7-13(10)18/h1-7H,8H2
InChI Key:
OJMOEWMZMOWPGD-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1nnc(o1)SCc1c(Cl)cccc1Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.9g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.114g/mol
Monoisotopic Mass:
413.9g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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