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917562-24-4 | 3-(4-Bromophenyl);-5-isopropyl-1,2,4-oxadiazole
CAS No: 917562-24-4 Catalog No: AG003I3M MDL No:MFCD09027282
Product Description
Catalog Number:
AG003I3M
Chemical Name:
3-(4-Bromophenyl);-5-isopropyl-1,2,4-oxadiazole
CAS Number:
917562-24-4
Molecular Formula:
C11H11BrN2O
Molecular Weight:
267.1218
MDL Number:
MFCD09027282
IUPAC Name:
3-(4-bromophenyl)-5-propan-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C11H11BrN2O/c1-7(2)11-13-10(14-15-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChI Key:
GCWZNWCXTVAODV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(n1)C(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.126g/mol
Monoisotopic Mass:
266.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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