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

1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine hydrochloride

CAS No.:
1311314-17-6
Catalog Number:
AG01AH5G
Molecular Formula:
C11H13BrClN3O
Molecular Weight:
318.5974
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Product Description
Catalog Number:
AG01AH5G
Chemical Name:
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine hydrochloride
CAS Number:
1311314-17-6
Molecular Formula:
C11H13BrClN3O
Molecular Weight:
318.5974
MDL Number:
MFCD18483207
IUPAC Name:
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C11H12BrN3O.ClH/c1-2-9(13)10-14-11(16-15-10)7-4-3-5-8(12)6-7;/h3-6,9H,2,13H2,1H3;1H
InChI Key:
UENAETWQVVKMHP-UHFFFAOYSA-N
SMILES:
CCC(c1noc(n1)c1cccc(c1)Br)N.Cl
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.993g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
318.599g/mol
Monoisotopic Mass:
316.993g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties