Naphthalene, 1-bromo-4-isocyanato-


Chemical Name: Naphthalene, 1-bromo-4-isocyanato-
CAS Number: 1591-96-4
Product Number: AG001QHA(AGN-PC-0LA2S5)
Synonyms:
MDL No:
Molecular Formula: C11H6BrNO
Molecular Weight: 248.0754

Identification/Properties


Computed Properties
Molecular Weight:
248.079g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
246.963g/mol
Monoisotopic Mass:
246.963g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
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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