AG003A9V

400877-53-4 | Ethyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

AG003A9V

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CAS Number	400877-53-4
Catalog Number	AG003A9V(AGN-PC-0WAMTO)
Chemical Name	Ethyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
IUPAC Name	ethyl 4-bromo-1-methylpyrazole-3-carboxylate
InChI	InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-5(8)4-10(2)9-6/h4H,3H2,1-2H3
InChI Key	FHZDKUWSOFBDJO-UHFFFAOYSA-N
MDL Number	MFCD02228182
Molecular Formula	C7H9BrN2O2
Molecular Weight	233.0626
SMILES	BrC=1C(=NN(C1)C)C(=O)OCC
Synonyms	ethyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate, 400877-53-4, ethyl 4-bromo-1-methylpyrazole-3-carboxylate, AC1LI0JF, SCHEMBL17375095, DTXSID90357191, ZINC380114, ACN-C000805, KS-00000PF8, MFCD02228182, SBB073871, STL415121, AKOS015920752, AB11596, CS-W022685, DS-6708, MCULE-7500585923, AJ-20338, AK139741, AM803848, ST45256206, CID846916, ZINC00380114,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.985g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.065g/mol
Monoisotopic Mass	231.985g/mol
Rotatable Bond Count	3
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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