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887266-81-1 | Benzeneacetic acid,2-bromo-5-(trifluoromethoxy)-
CAS No: 887266-81-1 Catalog No: AG004535 MDL No:MFCD07368725
Product Description
Catalog Number:
AG004535
Chemical Name:
Benzeneacetic acid,2-bromo-5-(trifluoromethoxy)-
CAS Number:
887266-81-1
Molecular Formula:
C9H6BrF3O3
Molecular Weight:
299.0413
MDL Number:
MFCD07368725
IUPAC Name:
2-[2-bromo-5-(trifluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H6BrF3O3/c10-7-2-1-6(16-9(11,12)13)3-5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChI Key:
AGFBPCUCBYAIIT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(ccc1Br)OC(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:
3.3
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