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1805222-50-7 | Ethyl 5-bromo-2-(trifluoromethyl)isonicotinate
CAS No: 1805222-50-7 Catalog No: AG01FOXO MDL No:
Product Description
Catalog Number:
AG01FOXO
Chemical Name:
Ethyl 5-bromo-2-(trifluoromethyl)isonicotinate
CAS Number:
1805222-50-7
IUPAC Name:
ethyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate
InChI:
InChI=1S/C9H7BrF3NO2/c1-2-16-8(15)5-3-7(9(11,12)13)14-4-6(5)10/h3-4H,2H2,1H3
InChI Key:
VULMSTWAVJBFBI-UHFFFAOYSA-N
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.961g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.059g/mol
Monoisotopic Mass:
296.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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