Home Other Building Blocks 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepane hydrochloride

2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepane hydrochloride

CAS No.:
1461706-14-8
Catalog Number:
AG01ABT8
Molecular Formula:
C14H17ClFN3O
Molecular Weight:
297.7557
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Product Description
Catalog Number:
AG01ABT8
Chemical Name:
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepane hydrochloride
CAS Number:
1461706-14-8
Molecular Formula:
C14H17ClFN3O
Molecular Weight:
297.7557
MDL Number:
MFCD26407727
IUPAC Name:
3-(azepan-2-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C14H16FN3O.ClH/c15-11-7-5-10(6-8-11)14-17-13(18-19-14)12-4-2-1-3-9-16-12;/h5-8,12,16H,1-4,9H2;1H
InChI Key:
XDRWQIYAIBDZTF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1onc(n1)C1CCCCCN1.Cl
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.104g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.758g/mol
Monoisotopic Mass:
297.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties