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Home > Fluorides > 1261843-61-1
1261843-61-1 | 2-[3-Fluoro-4-(trifluoromethoxy)benzoyl]pyridine
CAS No: 1261843-61-1 Catalog No: AG01F9H5 MDL No:
Product Description
Catalog Number:
AG01F9H5
Chemical Name:
2-[3-Fluoro-4-(trifluoromethoxy)benzoyl]pyridine
CAS Number:
1261843-61-1
Molecular Formula:
C13H7F4NO2
Molecular Weight:
285.1938
IUPAC Name:
[3-fluoro-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
InChI:
InChI=1S/C13H7F4NO2/c14-9-7-8(4-5-11(9)20-13(15,16)17)12(19)10-3-1-2-6-18-10/h1-7H
InChI Key:
CTTYECFFXHZOIJ-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OC(F)(F)F)C(=O)c1ccccn1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.198g/mol
Monoisotopic Mass:
285.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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