AG01BTJK

1784137-59-2 | Methyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate

AG01BTJK

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CAS Number	1784137-59-2
Catalog Number	AG01BTJK
Chemical Name	Methyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate
IUPAC Name	methyl 5-bromo-2-methylpyrazole-3-carboxylate
InChI	InChI=1S/C6H7BrN2O2/c1-9-4(6(10)11-2)3-5(7)8-9/h3H,1-2H3
InChI Key	RUSKUWANJCIMBH-UHFFFAOYSA-N
MDL Number	MFCD28650794
Molecular Formula	C6H7BrN2O2
Molecular Weight	219.0360
SMILES	BrC1=NN(C(=C1)C(=O)OC)C
Synonyms	methyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate, 1784137-59-2, ZINC190440093,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.969g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.038g/mol
Monoisotopic Mass	217.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

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