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1187166-49-9 | 3-(2-Iodobenzoyl)-4-methylpyridine
CAS No: 1187166-49-9 Catalog No: AG01FE2O MDL No:
Product Description
Catalog Number:
AG01FE2O
Chemical Name:
3-(2-Iodobenzoyl)-4-methylpyridine
CAS Number:
1187166-49-9
Molecular Formula:
C13H10INO
Molecular Weight:
323.1291
IUPAC Name:
(2-iodophenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C13H10INO/c1-9-6-7-15-8-11(9)13(16)10-4-2-3-5-12(10)14/h2-8H,1H3
InChI Key:
AYKCTNQUWQYHSK-UHFFFAOYSA-N
SMILES:
Cc1ccncc1C(=O)c1ccccc1I
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.133g/mol
Monoisotopic Mass:
322.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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