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1261868-06-7 | 2-(4-Chloro-3-fluorobenzoyl)pyridine
CAS No: 1261868-06-7 Catalog No: AG01FDGU MDL No:
Product Description
Catalog Number:
AG01FDGU
Chemical Name:
2-(4-Chloro-3-fluorobenzoyl)pyridine
CAS Number:
1261868-06-7
Molecular Formula:
C12H7ClFNO
Molecular Weight:
235.6415
IUPAC Name:
(4-chloro-3-fluorophenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C12H7ClFNO/c13-9-5-4-8(7-10(9)14)12(16)11-3-1-2-6-15-11/h1-7H
InChI Key:
RQXZEGBYZXEHRN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)Cl)c1ccccn1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.642g/mol
Monoisotopic Mass:
235.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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