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155331-58-1 | 1,2,3-Oxadiazolium, 5-amino-3-methyl-4-phenyl-, chloride (1:1)
CAS No: 155331-58-1 Catalog No: AG001NTH MDL No:
Product Description
Catalog Number:
AG001NTH
Chemical Name:
1,2,3-Oxadiazolium, 5-amino-3-methyl-4-phenyl-, chloride (1:1)
CAS Number:
155331-58-1
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
IUPAC Name:
3-methyl-4-phenyl-2H-oxadiazol-2-ium-5-amine;chloride
InChI:
InChI=1S/C9H11N3O.ClH/c1-12-8(9(10)13-11-12)7-5-3-2-4-6-7;/h2-6,11H,10H2,1H3;1H
InChI Key:
NIBILLRHDQUAOL-UHFFFAOYSA-N
SMILES:
CN1[NH2+]OC(=C1c1ccccc1)N.[Cl-]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.665g/mol
Monoisotopic Mass:
213.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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