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1256791-13-5 | Ethanone, 1-(6-chloro-5-methyl-3-pyridinyl)-
CAS No: 1256791-13-5 Catalog No: AG000ODD MDL No:MFCD18258044
Product Description
Catalog Number:
AG000ODD
Chemical Name:
Ethanone, 1-(6-chloro-5-methyl-3-pyridinyl)-
CAS Number:
1256791-13-5
Molecular Formula:
C8H8ClNO
Molecular Weight:
169.6082
MDL Number:
MFCD18258044
IUPAC Name:
1-(6-chloro-5-methylpyridin-3-yl)ethanone
InChI:
InChI=1S/C8H8ClNO/c1-5-3-7(6(2)11)4-10-8(5)9/h3-4H,1-2H3
InChI Key:
TWEZOYOBQZZFBF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(c(c1)C)Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.608g/mol
Monoisotopic Mass:
169.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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