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957065-93-9 | 2-(3-Bromophenyl);-5-(thiophen-2-yl);-1,3,4-oxadiazole
CAS No: 957065-93-9 Catalog No: AG003ETC MDL No:MFCD09878386
Product Description
Catalog Number:
AG003ETC
Chemical Name:
2-(3-Bromophenyl);-5-(thiophen-2-yl);-1,3,4-oxadiazole
CAS Number:
957065-93-9
Molecular Formula:
C12H7BrN2OS
Molecular Weight:
307.1658
MDL Number:
MFCD09878386
IUPAC Name:
2-(3-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C12H7BrN2OS/c13-9-4-1-3-8(7-9)11-14-15-12(16-11)10-5-2-6-17-10/h1-7H
InChI Key:
JVUJDTWUKFHVDP-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nnc(o1)c1cccs1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.165g/mol
Monoisotopic Mass:
305.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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