AG001VF0

160842-62-6 | 3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride

AG001VF0

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CAS Number	160842-62-6
Catalog Number	AG001VF0(AGN-PC-0KK79U)
Chemical Name	3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride
IUPAC Name	5-tert-butyl-2-methylpyrazole-3-carbonyl chloride
InChI	InChI=1S/C9H13ClN2O/c1-9(2,3)7-5-6(8(10)13)12(4)11-7/h5H,1-4H3
InChI Key	SJGURXGUNLVMAQ-UHFFFAOYSA-N
MDL Number	MFCD00084916
Molecular Formula	C9H13ClN2O
Molecular Weight	200.6653
SMILES	C1(=CC(=NN1C)C(C)(C)C)C(Cl)=O
Synonyms	160842-62-6, 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride, 3-(tert-butyl)-1-methylpyrazole-5-carbonylchloride, 5-tert-butyl-2-methylpyrazole-3-carbonyl chloride, 3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl chloride, 3-(tert-Butyl)-1-methylpyrazole-5-carbonyl chloride, 1H-Pyrazole-5-carbonylchloride, 3-(1,1-dimethylethyl)-1-methyl-, AC1MC3VJ, AC1Q40AD, SCHEMBL350765, CTK0H3700, DTXSID50370881, SJGURXGUNLVMAQ-UHFFFAOYSA-N, ZINC2150014, ZX-AT017145, MFCD00084916, OR1281, SBB005464, AKOS015911982, FCH1320789, CC-12743, CJ-33119, PS-10747, AB0003741, DB-043469, RT-008518, FT-0613890, K-5042, 5-tert-butyl-2-methyl-3-pyrazolecarbonyl chloride, A810195, C-09552, 5-tert-butyl-2-methyl-pyrazole-3-carbonyl chloride, I14-36451, 3-(tert-butyl)-1-methyl-1h-pyrazole-5-carbonylchloride, 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic chloride, 5-tert-Butyl-2-methyl-2H-pyrazole-3-carbonyl chloride, 3-(tert.-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride, 1-Methyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid chloride, 1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-methyl-, ZINC02150014, CID2735684, 1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-methyl- (9CI),

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.072g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.666g/mol
Monoisotopic Mass	200.072g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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