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160377-57-1 | 1,2,4-Oxadiazole, 3-(3-bromophenyl)-5-methyl-
CAS No: 160377-57-1 Catalog No: AG001RW5 MDL No:MFCD08087563
Product Description
Catalog Number:
AG001RW5
Chemical Name:
1,2,4-Oxadiazole, 3-(3-bromophenyl)-5-methyl-
CAS Number:
160377-57-1
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD08087563
IUPAC Name:
3-(3-bromophenyl)-5-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7BrN2O/c1-6-11-9(12-13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChI Key:
GTYLSVIVKRJHIQ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1noc(n1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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