AG019EP2

865798-15-8 | ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate

AG019EP2

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CAS Number	865798-15-8
Catalog Number	AG019EP2(AGN-PC-0CM94P)
Chemical Name	ethyl 5-bromo-1-methyl-1H-imidazole-2-carboxylate
IUPAC Name	ethyl 5-bromo-1-methylimidazole-2-carboxylate
InChI	InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-9-4-5(8)10(6)2/h4H,3H2,1-2H3
InChI Key	NRQBXTSPABSYFV-UHFFFAOYSA-N
MDL Number	MFCD18249878
Molecular Formula	C7H9BrN2O2
Molecular Weight	233.0626
SMILES	O=C(C1=NC=C(Br)N1C)OCC
Synonyms	ETHYL 5-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE, 865798-15-8, SCHEMBL4032310, NRQBXTSPABSYFV-UHFFFAOYSA-N, MFCD18249878, AB71912, CS-0061600, 5-bromo-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester, 1H-Imidazole-2-carboxylic acid, 5-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	231.985g/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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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