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880345-50-6 | 2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
CAS No: 880345-50-6 Catalog No: AG004N4Q MDL No:
Product Description
Catalog Number:
AG004N4Q
Chemical Name:
2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
CAS Number:
880345-50-6
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
IUPAC Name:
2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
InChI:
InChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2
InChI Key:
HMFPMGBWSFUHEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn2c(n1)OCC(C2)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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