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Home > Imidazoles > 70028-96-5
70028-96-5 | 1-(2-TETRAHYDROFURANYL)-2-METHYL-5-NITROIMIDAZOLE
CAS No: 70028-96-5 Catalog No: AG0064OP MDL No:
Product Description
Catalog Number:
AG0064OP
Chemical Name:
1-(2-TETRAHYDROFURANYL)-2-METHYL-5-NITROIMIDAZOLE
CAS Number:
70028-96-5
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
2-methyl-5-nitro-1-(oxolan-2-yl)imidazole
InChI:
InChI=1S/C8H11N3O3/c1-6-9-5-7(11(12)13)10(6)8-3-2-4-14-8/h5,8H,2-4H2,1H3
InChI Key:
IBBWMFQRPKETAO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C1CCCO1)C
Properties
Complexity:
230
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:
1
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