Home Halogens 3-[(4-bromophenyl)methyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride

3-[(4-bromophenyl)methyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride

CAS No.:
1311314-80-3
Catalog Number:
AG01AHG9
Molecular Formula:
C13H15BrClN3O
Molecular Weight:
344.6347
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Product Description
Catalog Number:
AG01AHG9
Chemical Name:
3-[(4-bromophenyl)methyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride
CAS Number:
1311314-80-3
Molecular Formula:
C13H15BrClN3O
Molecular Weight:
344.6347
MDL Number:
MFCD18483326
IUPAC Name:
3-[(4-bromophenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C13H14BrN3O.ClH/c14-10-5-3-9(4-6-10)8-12-16-13(18-17-12)11-2-1-7-15-11;/h3-6,11,15H,1-2,7-8H2;1H
InChI Key:
ZAHYQYCOBOHKRI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cc1noc(n1)C1CCCN1.Cl
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.009g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
344.637g/mol
Monoisotopic Mass:
343.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties