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80099-83-8 | 2-Chloro-3-(4-fluorobenzoyl)pyridine
CAS No: 80099-83-8 Catalog No: AG005583 MDL No:
Product Description
Catalog Number:
AG005583
Chemical Name:
2-Chloro-3-(4-fluorobenzoyl)pyridine
CAS Number:
80099-83-8
Molecular Formula:
C12H7ClFNO
Molecular Weight:
235.6415
IUPAC Name:
(2-chloropyridin-3-yl)-(4-fluorophenyl)methanone
InChI:
InChI=1S/C12H7ClFNO/c13-12-10(2-1-7-15-12)11(16)8-3-5-9(14)6-4-8/h1-7H
InChI Key:
LTSMOZOQWSATMZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1cccnc1Cl
Properties
Complexity:
253
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:
3.3
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