AG007WD1

105486-72-4 | Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate

AG007WD1

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CAS Number	105486-72-4
Catalog Number	AG007WD1(AGN-PC-09Q63K)
Chemical Name	Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-bromo-1-methylpyrazole-4-carboxylate
InChI	InChI=1S/C7H9BrN2O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3H2,1-2H3
InChI Key	OMQVPOJHVUMCGK-UHFFFAOYSA-N
MDL Number	MFCD13189831
Molecular Formula	C7H9BrN2O2
Molecular Weight	233.0626
SMILES	BrC1=C(C=NN1C)C(=O)OCC
Synonyms	ETHYL 5-BROMO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLATE, 105486-72-4, 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-methyl-, ethyl ester, SCHEMBL2315523, CTK8C2961, DTXSID70693302, OMQVPOJHVUMCGK-UHFFFAOYSA-N, ACN-P000045, KS-00000OT3, 1249AA, ANW-69364, MFCD13189831, ZINC66345491, AKOS015899813, AB69212, ACN-000045, QC-5130, AK-30763, AN-34025, DS-11410, AJ-116320, DB-059364, TC-158109, CS-0007675, FT-0752969, ethyl 5-bromo-1-methyl-pyrazole-4-carboxylate, I14-11621, 5-Bromo-1-methyl-1H-pyrazole-4-carboxylicacidethylester, C7H9BrN2O2, A1986,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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