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957065-94-0 | 2-(3-Bromophenyl);-5-butyl-1,3,4-oxadiazole
CAS No: 957065-94-0 Catalog No: AG003ETD MDL No:MFCD09878392
Product Description
Catalog Number:
AG003ETD
Chemical Name:
2-(3-Bromophenyl);-5-butyl-1,3,4-oxadiazole
CAS Number:
957065-94-0
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
MDL Number:
MFCD09878392
IUPAC Name:
2-(3-bromophenyl)-5-butyl-1,3,4-oxadiazole
InChI:
InChI=1S/C12H13BrN2O/c1-2-3-7-11-14-15-12(16-11)9-5-4-6-10(13)8-9/h4-6,8H,2-3,7H2,1H3
InChI Key:
CHTQDKHZZYNJKP-UHFFFAOYSA-N
SMILES:
CCCCc1nnc(o1)c1cccc(c1)Br
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.153g/mol
Monoisotopic Mass:
280.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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