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101986-69-0 | Acetamide, N-[4-(4-oxido-2-pyrazinyl)phenyl]-
CAS No: 101986-69-0 Catalog No: AG00065Z MDL No:
Product Description
Catalog Number:
AG00065Z
Chemical Name:
Acetamide, N-[4-(4-oxido-2-pyrazinyl)phenyl]-
CAS Number:
101986-69-0
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
N-acetyl-4-pyrazin-2-ylbenzeneamine oxide
InChI:
InChI=1S/C12H11N3O2/c1-9(16)15(17)11-4-2-10(3-5-11)12-8-13-6-7-14-12/h2-8,15H,1H3
InChI Key:
RWCQMSZFSIKBEM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)c1ncc[n+](c1)[O-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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