AG00BD7J

21898-65-7 | 2-Trichloroacetyl-1-methylpyrrole

AG00BD7J

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CAS Number	21898-65-7
Catalog Number	AG00BD7J(AGN-PC-0KKY1D)
Chemical Name	2-Trichloroacetyl-1-methylpyrrole
IUPAC Name	2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethanone
InChI	InChI=1S/C7H6Cl3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4H,1H3
InChI Key	LWGNISUGCOYWRL-UHFFFAOYSA-N
MDL Number	MFCD00052521
Molecular Formula	C7H6Cl3NO
Molecular Weight	226.4876
SMILES	O=C(C1=CC=CN1C)C(Cl)(Cl)Cl
Synonyms	21898-65-7, 2-Trichloroacetyl-1-methylpyrrole, 2,2,2-trichloro-1-(1-methyl-1h-pyrrol-2-yl)ethanone, 1-methyl-2-(trichloroacetyl)-pyrrole, 1-Methyl-2-trichloroacetylpyrrole, 2,2,2-trichloro-1-(1-methyl-1h-pyrrol-2-yl)-1-ethanone, 1-Methyl-2-(trichloroacetyl)-1H-pyrrole, 2,2,2-trichloro-1-(1-methyl-1h-pyrrol-2-yl)ethan-1-one, 2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethanone, C7H6Cl3NO, Ethanone,2,2,2-trichloro-1-(1-methyl-1H-pyrrol-2-yl)-, ETHANONE, 2,2,2-TRICHLORO-1-(1-METHYL-1H-PYRROL-2-YL)-, 2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethan-1-one, zlchem 709, AC1MCRIB, trichloromethylpyrrolylethanone, SCHEMBL1518200, CTK4E7920, KS-00001XAH, DTXSID60380395, ZLD0161, LWGNISUGCOYWRL-UHFFFAOYSA-N, 2-trichloroacetyl-1-methyl pyrrole, ACT05865, ALBB-014671, ZINC2510204, 2-(trichloroacetyl)-1-methylpyrrole, 7443AD, MFCD00052521, SBB055786, 2-(trichloroacetyl)-1-methyl pyrrole, AKOS001106823, 1-Methyl-2-trichloroacetyl-1H-pyrrole, MCULE-5608617500, RP13052, VP60080, AC-30396, ST086055, TC-064467, A4684, FT-0609024, UX00002117, 5D-093, L-1893, J-506708, S14-0587, 2,2,2-trichloro-1-(methyl-1H-pyrrol-2-yl)ethanone, Not Available, ZINC02510204, CB10176, CID2777164,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.951g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.481g/mol
Monoisotopic Mass	224.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 1759

Certificate of Analysis

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