Benzene, 1-(isocyanatomethyl)-4-(trifluoromethyl)-


Chemical Name: Benzene, 1-(isocyanatomethyl)-4-(trifluoromethyl)-
CAS Number: 102422-55-9
Product Number: AG0007G5(AGN-PC-03O8YC)
Synonyms:
MDL No:
Molecular Formula: C9H6F3NO
Molecular Weight: 201.1452

Identification/Properties


Computed Properties
Molecular Weight:
201.148g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
201.04g/mol
Monoisotopic Mass:
201.04g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
225
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P301+P312+P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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