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160377-58-2 | 1,2,4-Oxadiazole, 5-(3-bromophenyl)-3-methyl-
CAS No: 160377-58-2 Catalog No: AG001RW4 MDL No:MFCD08435902
Product Description
Catalog Number:
AG001RW4
Chemical Name:
1,2,4-Oxadiazole, 5-(3-bromophenyl)-3-methyl-
CAS Number:
160377-58-2
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD08435902
IUPAC Name:
5-(3-bromophenyl)-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7BrN2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChI Key:
CAJCGTZYHFBZAW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1onc(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:
2.9
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