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Home > Fluorides > 1261468-94-3
1261468-94-3 | 2-(3-Fluoro-4-methoxybenzoyl)pyridine
CAS No: 1261468-94-3 Catalog No: AG01FCZP MDL No:
Product Description
Catalog Number:
AG01FCZP
Chemical Name:
2-(3-Fluoro-4-methoxybenzoyl)pyridine
CAS Number:
1261468-94-3
Molecular Formula:
C13H10FNO2
Molecular Weight:
231.2224
IUPAC Name:
(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C13H10FNO2/c1-17-12-6-5-9(8-10(12)14)13(16)11-4-2-3-7-15-11/h2-8H,1H3
InChI Key:
KLJHNTKJMYGAEB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)c1ccccn1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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