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847786-18-9 | 5-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
CAS No: 847786-18-9 Catalog No: AG00363S MDL No:
Product Description
Catalog Number:
AG00363S
Chemical Name:
5-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
CAS Number:
847786-18-9
Molecular Formula:
C9H6BrF3O3
Molecular Weight:
299.0413
IUPAC Name:
5-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
InChI:
InChI=1S/C9H6BrF3O3/c10-5-1-2-7(6(3-5)8(14)15)16-4-9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
ADCGQOBRDPREGH-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)O)OCC(F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.945g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.043g/mol
Monoisotopic Mass:
297.945g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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