Home Other Building Blocks (5-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-3-YL)METHANAMINE HYDROCHLORIDE

(5-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-3-YL)METHANAMINE HYDROCHLORIDE

CAS No.:
1179370-94-5
Catalog Number:
AG01DYGL
Molecular Formula:
C9H9Cl2N3O
Molecular Weight:
246.0933
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Product Description
Catalog Number:
AG01DYGL
Chemical Name:
(5-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-3-YL)METHANAMINE HYDROCHLORIDE
CAS Number:
1179370-94-5
Molecular Formula:
C9H9Cl2N3O
Molecular Weight:
246.0933
MDL Number:
MFCD08733174
IUPAC Name:
[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
InChI:
InChI=1S/C9H8ClN3O.ClH/c10-7-3-1-6(2-4-7)9-12-8(5-11)13-14-9;/h1-4H,5,11H2;1H
InChI Key:
XIBOMGJWOFGKBI-UHFFFAOYSA-N
SMILES:
NCc1noc(n1)c1ccc(cc1)Cl.Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties