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180530-13-6 | 1,2,4-Oxadiazole, 3-(5-bromo-2-thienyl)-5-methyl-
CAS No: 180530-13-6 Catalog No: AG002224 MDL No:MFCD03407331
Product Description
Catalog Number:
AG002224
Chemical Name:
1,2,4-Oxadiazole, 3-(5-bromo-2-thienyl)-5-methyl-
CAS Number:
180530-13-6
Molecular Formula:
C7H5BrN2OS
Molecular Weight:
245.0964
MDL Number:
MFCD03407331
IUPAC Name:
3-(5-bromothiophen-2-yl)-5-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C7H5BrN2OS/c1-4-9-7(10-11-4)5-2-3-6(8)12-5/h2-3H,1H3
InChI Key:
ZNWQLJYQXULFQB-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)c1ccc(s1)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.094g/mol
Monoisotopic Mass:
243.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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