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716316-22-2 | 3-(4-Nitro-1H-imidazol-1-yl)cyclobutanone
CAS No: 716316-22-2 Catalog No: AG005RFN MDL No:MFCD22199262
Product Description
Catalog Number:
AG005RFN
Chemical Name:
3-(4-Nitro-1H-imidazol-1-yl)cyclobutanone
CAS Number:
716316-22-2
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
MDL Number:
MFCD22199262
IUPAC Name:
3-(4-nitroimidazol-1-yl)cyclobutan-1-one
InChI:
InChI=1S/C7H7N3O3/c11-6-1-5(2-6)9-3-7(8-4-9)10(12)13/h3-5H,1-2H2
InChI Key:
QWJAHWGRKIDLNY-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)n1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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