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Home > Imidazoles > 716316-17-5
716316-17-5 | Cyclobutanol, 3-(4-nitro-1H-imidazol-1-yl)-, trans-
CAS No: 716316-17-5 Catalog No: AG005RFP MDL No:
Product Description
Catalog Number:
AG005RFP
Chemical Name:
Cyclobutanol, 3-(4-nitro-1H-imidazol-1-yl)-, trans-
CAS Number:
716316-17-5
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
IUPAC Name:
3-(4-nitroimidazol-1-yl)cyclobutan-1-ol
InChI:
InChI=1S/C7H9N3O3/c11-6-1-5(2-6)9-3-7(8-4-9)10(12)13/h3-6,11H,1-2H2
InChI Key:
BCWKOPMBUZHCDL-UHFFFAOYSA-N
SMILES:
O[C@@H]1C[C@H](C1)n1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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