AG001A2X

139042-59-4 | Ethanone, 1-(6-bromo-3-pyridinyl)-

AG001A2X

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CAS Number	139042-59-4
Catalog Number	AG001A2X(AGN-PC-0NKLMT)
Chemical Name	Ethanone, 1-(6-bromo-3-pyridinyl)-
IUPAC Name	1-(6-bromopyridin-3-yl)ethanone
InChI	InChI=1S/C7H6BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3
InChI Key	MUKKGHQBUKOMTD-UHFFFAOYSA-N
MDL Number	MFCD04974527
Molecular Formula	C7H6BrNO
Molecular Weight	200.0326
SMILES	C(C)(=O)C=1C=CC(=NC1)Br
Synonyms	139042-59-4, 5-Acetyl-2-bromopyridine, 1-(6-bromopyridin-3-yl)ethanone, 2-BROMO-5-ACETYLPYRIDINE, 1-(6-BROMO-PYRIDIN-3-YL)-ETHANONE, 1-(6-bromopyridin-3-yl)ethan-1-one, 3-Acetyl-6-bromopyridine, Ethanone, 1-(6-bromo-3-pyridinyl)-, 1-(6-bromo-3-pyridyl)ethanone, MFCD04974527, 1-(6-BROMOPYRID-3-YL)ETHANONE, ACMC-209cij, 5-acetyl-2-bromo-pyridine, KSC490S1J, SCHEMBL690853, CTK3J0914, DTXSID50576604, 5-Acetyl-2-bromopyridine, 97%, MUKKGHQBUKOMTD-UHFFFAOYSA-N, ABBYPHARMA AP-18-5807, 1-(6-bromopyridin-3-yl)-ethanone, ACN-S003112, ACT01536, KS-00000C1Q, ZINC2541713, AC-152, ANW-20489, BBL103454, RW1959, SBB055637, STL557264, AKOS005258858, AB21520, CA-1144, CS-W019730, LS21178, PS-3776, RP04229, RTC-068124, TRA0066537, AJ-39214, AK-25404, AN-16085, BC003058, BC225222, BR-25404, CJ-09252, EN001677, SC-00991, SY007796, AB0005105, TC-068124, 4CH-012776, AM20070122, FT-0649663, MFCD04974527 (95%), M-2256, 042B594, I02-1125, C7H6BrNO, 4-Acetyl-2-bromopyridine, 2-Ethoxy-4,6-dihydroxypyrimidine, 1-(2-Bromopyridin-4-yl)ethanone, 1-(5-bromopyridin-2-yl)ethanone, 2-BROMO-4-ACETYL PYRIDINE, 3-Acetyl-6-bromopyridine, 97% - 1G 1g, A2421, C2730, 1-(2-BROMOPYRIDIN-4-YL)ETHAN-1-ONE,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.963g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.035g/mol
Monoisotopic Mass	198.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number