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

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

CAS No.:
1803608-62-9
Catalog Number:
AG01BDU4
Molecular Formula:
C12H13BrClN3O
Molecular Weight:
330.6081
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Product Description
Catalog Number:
AG01BDU4
Chemical Name:
3-(4-bromophenyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride
CAS Number:
1803608-62-9
Molecular Formula:
C12H13BrClN3O
Molecular Weight:
330.6081
MDL Number:
MFCD28063911
IUPAC Name:
3-(4-bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C12H12BrN3O.ClH/c13-9-5-3-8(4-6-9)11-15-12(17-16-11)10-2-1-7-14-10;/h3-6,10,14H,1-2,7H2;1H
InChI Key:
DIMSSXYFUUCSSP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(n1)C1CCCN1.Cl
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.993g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.61g/mol
Monoisotopic Mass:
328.993g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties