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88135-08-4 | 1H-Imidazole, 2-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 88135-08-4 Catalog No: AG008C6O MDL No:
Product Description
Catalog Number:
AG008C6O
Chemical Name:
1H-Imidazole, 2-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
88135-08-4
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
2-nitro-1-(oxan-2-yl)imidazole
InChI:
InChI=1S/C8H11N3O3/c12-11(13)8-9-4-5-10(8)7-3-1-2-6-14-7/h4-5,7H,1-3,6H2
InChI Key:
XJKIBOPVLUIUSY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccn1C1CCCCO1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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