4-Bromo-2-methoxybenzotrifluoride


Chemical Name: 4-Bromo-2-methoxybenzotrifluoride
CAS Number: 944805-63-4
Product Number: AG0033XL(AGN-PC-0WAA2S)
Synonyms:
MDL No:
Molecular Formula: C8H6BrF3O
Molecular Weight: 255.0318

Identification/Properties


Properties
BP:
235°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
255.034g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
253.955g/mol
Monoisotopic Mass:
253.955g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
171
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-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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