AG000ODD

1256791-13-5 | Ethanone, 1-(6-chloro-5-methyl-3-pyridinyl)-

AG000ODD

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CAS Number	1256791-13-5
Catalog Number	AG000ODD(AGN-PC-0WAN56)
Chemical Name	Ethanone, 1-(6-chloro-5-methyl-3-pyridinyl)-
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
MDL Number	MFCD18258044
Molecular Formula	C8H8ClNO
Molecular Weight	169.6082
SMILES	CC(C1=CC(C)=C(Cl)N=C1)=O
Synonyms	1-(6-Chloro-5-methylpyridin-3-yl)ethanone, 1256791-13-5, 1-(6-CHLORO-5-METHYLPYRIDIN-3-YL)ETHAN-1-ONE, AK139010, SCHEMBL13859498, KS-00000RSG, DTXSID50856993, MFCD18258044, ZINC95763798, AKOS022174367, AB75129, FCH1162566, LH-0708, OR310313, AJ-133841, AX8260615, ST24037473, Ethanone, 1-(6-chloro-5-methyl-3-pyridinyl)-, 1-(6-chloro-5-methyl-3-pyridinyl)Ethanone,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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