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


Chemical Name: Benzene, 1-isothiocyanato-2-methoxy-4-nitro-
CAS Number: 190774-55-1
Product Number: AG002ESD(AGN-PC-0JTRE3)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O3S
Molecular Weight: 210.2098

Identification/Properties


Computed Properties
Molecular Weight:
210.207g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
210.01g/mol
Monoisotopic Mass:
210.01g/mol
Topological Polar Surface Area:
99.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
260
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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