Isoquinoline, 1,2,3,4-tetrahydro-6-nitro-2-(phenylmethyl)-


Chemical Name: Isoquinoline, 1,2,3,4-tetrahydro-6-nitro-2-(phenylmethyl)-
CAS Number: 208589-95-1
Product Number: AG002JSA(AGN-PC-03N4F1)
Synonyms:
MDL No:
Molecular Formula: C16H16N2O2
Molecular Weight: 268.3104

Identification/Properties


Computed Properties
Molecular Weight:
268.316g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
268.121g/mol
Monoisotopic Mass:
268.121g/mol
Topological Polar Surface Area:
49.1A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
336
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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