Home Halogens [5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methanamine

CAS No.:
944906-88-1
Catalog Number:
AG01AHC4
Molecular Formula:
C9H8BrN3O
Molecular Weight:
254.0833
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Product Description
Catalog Number:
AG01AHC4
Chemical Name:
[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CAS Number:
944906-88-1
Molecular Formula:
C9H8BrN3O
Molecular Weight:
254.0833
MDL Number:
MFCD10696505
IUPAC Name:
[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methanamine
InChI:
InChI=1S/C9H8BrN3O/c10-7-3-1-2-6(4-7)9-13-12-8(5-11)14-9/h1-4H,5,11H2
InChI Key:
FMXBUUMIALSMFM-UHFFFAOYSA-N
SMILES:
NCc1nnc(o1)c1cccc(c1)Br
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.087g/mol
Monoisotopic Mass:
252.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties