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202118-13-6 | 1,3,4-Oxadiazol-2-amine, 5-(3-aminophenyl)-
CAS No: 202118-13-6 Catalog No: AG00282O MDL No:
Product Description
Catalog Number:
AG00282O
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-(3-aminophenyl)-
CAS Number:
202118-13-6
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
IUPAC Name:
5-(3-aminophenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C8H8N4O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,9H2,(H2,10,12)
InChI Key:
NWYMVVYNDYQQKA-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nnc(o1)N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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