Home Aminos 3-(3-aminophenyl)-1,2,4-oxadiazol-5(4H)-one

3-(3-aminophenyl)-1,2,4-oxadiazol-5(4H)-one

CAS No.:
503469-36-1
Catalog Number:
AG01DIVI
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG01DIVI
Chemical Name:
3-(3-aminophenyl)-1,2,4-oxadiazol-5(4H)-one
CAS Number:
503469-36-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD16547800
IUPAC Name:
3-(3-aminophenyl)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H7N3O2/c9-6-3-1-2-5(4-6)7-10-8(12)13-11-7/h1-4H,9H2,(H,10,11,12)
InChI Key:
ULMIGPCOQATGHG-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1noc(=O)[nH]1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties