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127692-31-3 | Cyclohexanol, 2-(2,4-dinitro-1H-imidazol-1-yl)-
CAS No: 127692-31-3 Catalog No: AG000XAR MDL No:
Product Description
Catalog Number:
AG000XAR
Chemical Name:
Cyclohexanol, 2-(2,4-dinitro-1H-imidazol-1-yl)-
CAS Number:
127692-31-3
Molecular Formula:
C9H12N4O5
Molecular Weight:
256.2154
IUPAC Name:
2-(2,4-dinitroimidazol-1-yl)cyclohexan-1-ol
InChI:
InChI=1S/C9H12N4O5/c14-7-4-2-1-3-6(7)11-5-8(12(15)16)10-9(11)13(17)18/h5-7,14H,1-4H2
InChI Key:
IFUUUFPSUHAFMN-UHFFFAOYSA-N
SMILES:
OC1CCCCC1n1cc(nc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.218g/mol
Monoisotopic Mass:
256.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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