Benzene, 2-isocyanato-1-methoxy-4-nitro-


Chemical Name: Benzene, 2-isocyanato-1-methoxy-4-nitro-
CAS Number: 59741-17-2
Product Number: AG00EA1D(AGN-PC-0L6IR0)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O4
Molecular Weight: 194.1442

Identification/Properties


Computed Properties
Molecular Weight:
194.146g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
194.033g/mol
Monoisotopic Mass:
194.033g/mol
Topological Polar Surface Area:
84.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
257
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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