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Home > Fluorides > 898780-27-3
898780-27-3 | 2-(3,4-DIFLUOROBENZOYL)PYRIDINE
CAS No: 898780-27-3 Catalog No: AG006JJU MDL No:
Product Description
Catalog Number:
AG006JJU
Chemical Name:
2-(3,4-DIFLUOROBENZOYL)PYRIDINE
CAS Number:
898780-27-3
Molecular Formula:
C12H7F2NO
Molecular Weight:
219.1869
IUPAC Name:
(3,4-difluorophenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C12H7F2NO/c13-9-5-4-8(7-10(9)14)12(16)11-3-1-2-6-15-11/h1-7H
InChI Key:
MKGAISLAGNOFSW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)F)c1ccccn1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.191g/mol
Monoisotopic Mass:
219.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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