methyl 3-bromo-4-(trifluoromethyl)benzoate


Chemical Name: methyl 3-bromo-4-(trifluoromethyl)benzoate
CAS Number: 455941-82-9
Product Number: AG00DHWN(AGN-PC-0NCWKF)
Synonyms:
MDL No:
Molecular Formula: C9H6BrF3O2
Molecular Weight: 283.0419

Identification/Properties


Computed Properties
Molecular Weight:
283.044g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
281.95g/mol
Monoisotopic Mass:
281.95g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
242
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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