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957065-95-1 | 2-(3-Bromophenyl);-5-propyl-1,3,4-oxadiazole
CAS No: 957065-95-1 Catalog No: AG003ETF MDL No:MFCD09878393
Product Description
Catalog Number:
AG003ETF
Chemical Name:
2-(3-Bromophenyl);-5-propyl-1,3,4-oxadiazole
CAS Number:
957065-95-1
Molecular Formula:
C11H11BrN2O
Molecular Weight:
267.1218
MDL Number:
MFCD09878393
IUPAC Name:
2-(3-bromophenyl)-5-propyl-1,3,4-oxadiazole
InChI:
InChI=1S/C11H11BrN2O/c1-2-4-10-13-14-11(15-10)8-5-3-6-9(12)7-8/h3,5-7H,2,4H2,1H3
InChI Key:
MOGZBGQHSPXLMW-UHFFFAOYSA-N
SMILES:
CCCc1nnc(o1)c1cccc(c1)Br
Properties
Complexity:
203
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:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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