Home Halogens 2-(3-bromophenyl)-1,3,4-oxadiazole

2-(3-bromophenyl)-1,3,4-oxadiazole

CAS No.:
5378-34-7
Catalog Number:
AG00DQS4
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
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Product Description
Catalog Number:
AG00DQS4
Chemical Name:
2-(3-bromophenyl)-1,3,4-oxadiazole
CAS Number:
5378-34-7
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD04444324
IUPAC Name:
2-(3-bromophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C8H5BrN2O/c9-7-3-1-2-6(4-7)8-11-10-5-12-8/h1-5H
InChI Key:
WKAUICDGONASOP-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nnco1
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties