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1750-80-7 | 1,3,4-Oxadiazol-2-amine, N-phenyl-
CAS No: 1750-80-7 Catalog No: AG00203A MDL No:
Product Description
Catalog Number:
AG00203A
Chemical Name:
1,3,4-Oxadiazol-2-amine, N-phenyl-
CAS Number:
1750-80-7
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
N-phenyl-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C8H7N3O/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11)
InChI Key:
OTIGSQDCBPRVEE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1nnco1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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