AG00AP7K

175277-40-4 | 1-(1H-Pyrazol-5-yl)ethan-1-one hydrochloride

AG00AP7K

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CAS Number	175277-40-4
Catalog Number	AG00AP7K(AGN-PC-0QAR99)
Chemical Name	1-(1H-Pyrazol-5-yl)ethan-1-one hydrochloride
IUPAC Name	1-(1H-pyrazol-5-yl)ethanone;hydrochloride
InChI	InChI=1S/C5H6N2O.ClH/c1-4(8)5-2-3-6-7-5;/h2-3H,1H3,(H,6,7);1H
InChI Key	MTFWBEDWXAHBNR-UHFFFAOYSA-N
MDL Number	MFCD00204160
Molecular Formula	C5H7ClN2O
Molecular Weight	146.5749
SMILES	CC(C1=NNC=C1)=O.[H]Cl
Synonyms	175277-40-4, 1-(1H-pyrazol-5-yl)ethan-1-one hydrochloride, 1-(1H-pyrazol-5-yl)ethanone hydrochloride, 1-(1H-Pyrazol-3-yl)ethanone hydrochloride, 1-(2H-pyrazol-3-yl)ethanone Hydrochloride, 5-acetylpyrazole hydrochloride, 693773-78-3, 5-Acetyl-1H-pyrazole hydrochloride, AC1ME2QG, 5-acetylpyrazole, chloride, 3-acetylpyrazole hydrochloride, AC1Q38Y0, SCHEMBL1641189, CTK5J9819, KS-00002AWL, DTXSID40384093, MTFWBEDWXAHBNR-UHFFFAOYSA-N, STR08402, 9154AA, ANW-55663, MFCD00204160, SBB086523, AKOS006221163, AKOS025404483, MCULE-1764885364, PS-8939, RTR-007927, 1-(1H-Pyrazol-5-yl)ethan-1-one, HCl, AN-30761, TR-007927, FT-0605468, EN300-59866, 1-(1H-pyrazol-5-yl)-1-ethanone hydrochloride, Y-9769, 1-(1H-pyrazole-5-yl)ethan-1-one hydrochloride, 277P404, Ethanone, 1-(1H-pyrazol-3-yl)-, monohydrochloride, I14-27992, 1-(1H-Pyrazol-5-yl)ethan-1-one hydrochloride, AldrichCPR, C5H7ClN2O, CID2799623,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.025g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.574g/mol
Monoisotopic Mass	146.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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