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Home > Bromides > 1227578-52-0
1227578-52-0 | 2-Pyridineacetic acid, 5-bromo-3-(trifluoromethyl)-
CAS No: 1227578-52-0 Catalog No: AG000JBU MDL No:
Product Description
Catalog Number:
AG000JBU
Chemical Name:
2-Pyridineacetic acid, 5-bromo-3-(trifluoromethyl)-
CAS Number:
1227578-52-0
Molecular Formula:
C8H5BrF3NO2
Molecular Weight:
284.0300
IUPAC Name:
2-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]acetic acid
InChI:
InChI=1S/C8H5BrF3NO2/c9-4-1-5(8(10,11)12)6(13-3-4)2-7(14)15/h1,3H,2H2,(H,14,15)
InChI Key:
XVCPCOKVPFYSRB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ncc(cc1C(F)(F)F)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.032g/mol
Monoisotopic Mass:
282.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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