Benzene, 1-fluoro-3-(trifluoromethoxy)-


Chemical Name: Benzene, 1-fluoro-3-(trifluoromethoxy)-
CAS Number: 1077-01-6
Product Number: AG0084CA(AGN-PC-0KKY4K)
Synonyms:
MDL No:
Molecular Formula: C7H4F4O
Molecular Weight: 180.0997

Identification/Properties


Computed Properties
Molecular Weight:
180.102g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
180.02g/mol
Monoisotopic Mass:
180.02g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
145
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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