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Home Other Building Blocks 3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one

3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one

CAS No.:
16672-19-8
Catalog Number:
AG001WWA
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$144
- +
5g
97%
In Stock USA
United States
$437
- +
10g
97%
In Stock USA
United States
$812
- +
25g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG001WWA
Chemical Name:
3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one
CAS Number:
16672-19-8
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD11504920
IUPAC Name:
3-(4-bromophenyl)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H5BrN2O2/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12)
InChI Key:
INJVJPDDSBYUMW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1[nH]oc(=O)n1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties