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500210-57-1 | 2-(2-Bromo-phenyl)-5-(4-chloro-benzylsulfanyl)-[1,3,4]oxadiazole
CAS No: 500210-57-1 Catalog No: AG01EW6X MDL No:
Product Description
Catalog Number:
AG01EW6X
Chemical Name:
2-(2-Bromo-phenyl)-5-(4-chloro-benzylsulfanyl)-[1,3,4]oxadiazole
CAS Number:
500210-57-1
Molecular Formula:
C15H10BrClN2OS
Molecular Weight:
381.6747
IUPAC Name:
2-(2-bromophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C15H10BrClN2OS/c16-13-4-2-1-3-12(13)14-18-19-15(20-14)21-9-10-5-7-11(17)8-6-10/h1-8H,9H2
InChI Key:
NHOYGUCRFQJKMK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.939g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.672g/mol
Monoisotopic Mass:
379.939g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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