Home Halogens methyl 4-bromo-2,3,6-trifluorobenzoate

methyl 4-bromo-2,3,6-trifluorobenzoate

CAS No.:
773134-13-7
Catalog Number:
AG01EL8B
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
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Product Description
Catalog Number:
AG01EL8B
Chemical Name:
methyl 4-bromo-2,3,6-trifluorobenzoate
CAS Number:
773134-13-7
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
MDL Number:
MFCD06204171
IUPAC Name:
methyl 4-bromo-2,3,6-trifluorobenzoate
InChI:
InChI=1S/C8H4BrF3O2/c1-14-8(13)5-4(10)2-3(9)6(11)7(5)12/h2H,1H3
InChI Key:
JFIQLTMOLNNWDH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cc(c(c1F)F)Br
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.935g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.017g/mol
Monoisotopic Mass:
267.935g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties