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Home > Bromides > 1196146-14-1
1196146-14-1 | 3-Pyridinecarboxylic acid, 4-bromo-6-(trifluoromethyl)-, ethyl ester
CAS No: 1196146-14-1 Catalog No: AG000PAX MDL No:
Product Description
Catalog Number:
AG000PAX
Chemical Name:
3-Pyridinecarboxylic acid, 4-bromo-6-(trifluoromethyl)-, ethyl ester
CAS Number:
1196146-14-1
Molecular Formula:
C9H7BrF3NO2
Molecular Weight:
298.0566
IUPAC Name:
ethyl 4-bromo-6-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C9H7BrF3NO2/c1-2-16-8(15)5-4-14-7(3-6(5)10)9(11,12)13/h3-4H,2H2,1H3
InChI Key:
QMFXUMLHKBTNII-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(cc1Br)C(F)(F)F
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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