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95617-18-8 | Cyclohexane, 1-iodo-2-nitro-, trans-
CAS No: 95617-18-8 Catalog No: AG005ZJF MDL No:
Product Description
Catalog Number:
AG005ZJF
Chemical Name:
Cyclohexane, 1-iodo-2-nitro-, trans-
CAS Number:
95617-18-8
Molecular Formula:
C6H10INO2
Molecular Weight:
255.0536
IUPAC Name:
1-iodo-2-nitrocyclohexane
InChI:
InChI=1S/C6H10INO2/c7-5-3-1-2-4-6(5)8(9)10/h5-6H,1-4H2
InChI Key:
HKHSNPAUBRACHM-UHFFFAOYSA-N
SMILES:
I[C@@H]1CCCC[C@H]1[N+](=O)[O-]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.055g/mol
Monoisotopic Mass:
254.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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