Home Other Building Blocks 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethan-1-amine hydrochloride

1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethan-1-amine hydrochloride

CAS No.:
1423023-87-3
Catalog Number:
AG01A31O
Molecular Formula:
C5H8ClF2N3O
Molecular Weight:
199.5863
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Product Description
Catalog Number:
AG01A31O
Chemical Name:
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethan-1-amine hydrochloride
CAS Number:
1423023-87-3
Molecular Formula:
C5H8ClF2N3O
Molecular Weight:
199.5863
MDL Number:
MFCD22628459
IUPAC Name:
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
InChI:
InChI=1S/C5H7F2N3O.ClH/c1-2(8)4-9-5(3(6)7)11-10-4;/h2-3H,8H2,1H3;1H
InChI Key:
CPOIRHXEQYKDOD-UHFFFAOYSA-N
SMILES:
CC(c1noc(n1)C(F)F)N.Cl
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.586g/mol
Monoisotopic Mass:
199.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties