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89250-18-0 | 1,2,4-Oxadiazol-5-amine, N-methyl-3-(3-nitrophenyl)-
CAS No: 89250-18-0 Catalog No: AG00425M MDL No:
Product Description
Catalog Number:
AG00425M
Chemical Name:
1,2,4-Oxadiazol-5-amine, N-methyl-3-(3-nitrophenyl)-
CAS Number:
89250-18-0
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
IUPAC Name:
N-methyl-3-(3-nitrophenyl)-1,2,4-oxadiazol-5-amine
InChI:
InChI=1S/C9H8N4O3/c1-10-9-11-8(12-16-9)6-3-2-4-7(5-6)13(14)15/h2-5H,1H3,(H,10,11,12)
InChI Key:
IZZCVNBHWFPTJY-UHFFFAOYSA-N
SMILES:
CNc1onc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.188g/mol
Monoisotopic Mass:
220.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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