Home Halogens methyl 2-bromo-2-[2-(trifluoromethyl)phenyl]acetate

methyl 2-bromo-2-[2-(trifluoromethyl)phenyl]acetate

CAS No.:
181039-99-6
Catalog Number:
AG01A5VL
Molecular Formula:
C10H8BrF3O2
Molecular Weight:
297.0685
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Product Description
Catalog Number:
AG01A5VL
Chemical Name:
methyl 2-bromo-2-[2-(trifluoromethyl)phenyl]acetate
CAS Number:
181039-99-6
Molecular Formula:
C10H8BrF3O2
Molecular Weight:
297.0685
MDL Number:
MFCD25371625
IUPAC Name:
methyl 2-bromo-2-[2-(trifluoromethyl)phenyl]acetate
InChI:
InChI=1S/C10H8BrF3O2/c1-16-9(15)8(11)6-4-2-3-5-7(6)10(12,13)14/h2-5,8H,1H3
InChI Key:
BRBOEALBFMVDME-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1C(F)(F)F)Br
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.966g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.071g/mol
Monoisotopic Mass:
295.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties