AG00DG8D

50920-64-4 | 4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

AG00DG8D

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CAS Number	50920-64-4
Catalog Number	AG00DG8D(AGN-PC-0L6ALH)
Chemical Name	4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
IUPAC Name	ethyl 2-ethyl-5-methylpyrazole-3-carboxylate
InChI	InChI=1S/C9H14N2O2/c1-4-11-8(6-7(3)10-11)9(12)13-5-2/h6H,4-5H2,1-3H3
InChI Key	NTZFLNAMFHICLK-UHFFFAOYSA-N
MDL Number	MFCD00159650
Molecular Formula	C9H14N2O2
Molecular Weight	182.2197
SMILES	CCN1C(=CC(=N1)C)C(=O)OCC
Synonyms	ethyl 1-ethyl-3-methyl-1H-pyrazole-5-carboxylate, 50920-64-4, 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid ethyl ester, ethyl 2-ethyl-5-methylpyrazole-3-carboxylate, ethyl 1-ethyl-3-methylpyrazole-5-carboxylate, AC1N4FNP, Ethyl 2-ethyl-5-methyl-pyrazole-3-carboxylate, SCHEMBL6188814, CTK5A7385, KS-00000JFJ, 1-Ethyl-3-Methyl-1H-Pyrazole-5-Carboxylicacid Ethyl Ester, DTXSID50400011, ZINC402250, ALBB-030247, ANW-70623, BBL028300, MFCD00159650, SBB024751, STK346762, AKOS003673951, DS-2265, MCULE-1050779587, MP-1605, AJ-21841, AK101102, CJ-03764, ZB012884, AB0032174, TC-159368, 4CH-010248, CS-0036671, ST24030426, ST45127917, X5459, Y5456, Ethyl-1-ethyl-3-methyl pyrazole -5-carboxylate, A831583, 2-ethyl-5-methyl-3-pyrazolecarboxylic acid ethyl ester, 2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid ethyl ester, C9H14N2O2, 5775-89-3, CID4154753, 4-bromo-1,3-dimethyl-1h-pyrazole-5-carboxylic acid ethyl ester,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.106g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.223g/mol
Monoisotopic Mass	182.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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