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80987-71-9 | 1,3,4-Oxadiazol-2-amine,5-(1,3-benzodioxol-5-yl)-
CAS No: 80987-71-9 Catalog No: AG005HT6 MDL No:MFCD00450153
Product Description
Catalog Number:
AG005HT6
Chemical Name:
1,3,4-Oxadiazol-2-amine,5-(1,3-benzodioxol-5-yl)-
CAS Number:
80987-71-9
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD00450153
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C9H7N3O3/c10-9-12-11-8(15-9)5-1-2-6-7(3-5)14-4-13-6/h1-3H,4H2,(H2,10,12)
InChI Key:
RDYBBDXAHGPAOB-UHFFFAOYSA-N
SMILES:
Nc1nnc(o1)c1ccc2c(c1)OCO2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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