AG007ZMQ

1353100-91-0 | Ethyl 3-bromo-1H-pyrazole-4-carboxylate

AG007ZMQ

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CAS Number	1353100-91-0
Catalog Number	AG007ZMQ(AGN-PC-0WAD44)
Chemical Name	Ethyl 3-bromo-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-bromo-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChI Key	HMONTLMXUZERMC-UHFFFAOYSA-N
MDL Number	MFCD12032195
Molecular Formula	C6H7BrN2O2
Molecular Weight	219.0360
SMILES	CCOC(=O)C1=CNN=C1Br
Synonyms	Ethyl 3-bromo-1H-pyrazole-4-carboxylate, 1353100-91-0, ethyl 5-bromo-1H-pyrazole-4-carboxylate, SCHEMBL370881, 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester, SCHEMBL15655280, CTK8C3189, DTXSID20719102, HMONTLMXUZERMC-UHFFFAOYSA-N, KS-00000QW7, Ethyl 3-Bromopyrazole-4-carboxylate, 6310AA, ANW-69789, MFCD12032195, ZINC72190593, AKOS016001893, CS-W019602, AK100938, AS-10403, QC-11389, SY034693, AJ-119327, ST2412967, TC-158534, 4CH-012250, MFCD12032195 (95%), C6H7BrN2O2, ACN-043606, 3-bromo-1H-Pyrazole-4-carboxylic acid ethyl ester, N/A,

Complexity	154
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	1
Isotope Atom Count	0
Molecular Weight	219.038g/mol
Monoisotopic Mass	217.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^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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