AG00HSPO

1328640-39-6 | Ethyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate

AG00HSPO

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CAS Number	1328640-39-6
Catalog Number	AG00HSPO(AGN-PC-0WBDD2)
Chemical Name	Ethyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
IUPAC Name	ethyl 4-bromo-2-methylpyrazole-3-carboxylate
InChI	InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-5(8)4-9-10(6)2/h4H,3H2,1-2H3
InChI Key	MBLKICOIMWDSJT-UHFFFAOYSA-N
MDL Number	MFCD20491534
Molecular Formula	C7H9BrN2O2
Molecular Weight	233.0626
SMILES	BrC=1C=NN(C1C(=O)OCC)C
Synonyms	ethyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate, 1328640-39-6, ethyl 4-bromo-1-methylpyrazole-5-carboxylate, AMOT0115, SCHEMBL16177307, KS-00000RLT, MBLKICOIMWDSJT-UHFFFAOYSA-N, SBB073864, ZINC72209674, AKOS015920741, DS-9917, MCULE-3290509121, AK198702, AM803156, DA-12275, FT-0732514, ST45256225, 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, ethyl ester,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.98474g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.06g/mol
Monoisotopic Mass	231.98474g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1Ų
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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