Benzene, 1-fluoro-4-(2-isocyanatoethyl)-


Chemical Name: Benzene, 1-fluoro-4-(2-isocyanatoethyl)-
CAS Number: 65535-53-7
Product Number: AG003LFS(AGN-PC-0LOFAU)
Synonyms:
MDL No:
Molecular Formula: C9H10FNO
Molecular Weight: 167.1802

Identification/Properties


Computed Properties
Molecular Weight:
165.167g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
165.059g/mol
Monoisotopic Mass:
165.059g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
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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