1-Iodo-2-(trifluoromethyl)benzene


Chemical Name: 1-Iodo-2-(trifluoromethyl)benzene
CAS Number: 444-29-1
Product Number: AG0039E1(AGN-PC-0WA4MW)
Synonyms:
MDL No:
Molecular Formula: C7H4F3I
Molecular Weight: 272.0063

Identification/Properties


Computed Properties
Molecular Weight:
272.009g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
271.931g/mol
Monoisotopic Mass:
271.931g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
132
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#:
-
Hazard Statements:
H227-H315-H319-H335
Precautionary Statements:
P210-P261-P280-P305+P351+P338-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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