AG003FWO

883876-21-9 | Methyl 2,5-dibromo-1H-imidazole-4-carboxylate

AG003FWO

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CAS Number	883876-21-9
Catalog Number	AG003FWO(AGN-PC-07YKAL)
Chemical Name	Methyl 2,5-dibromo-1H-imidazole-4-carboxylate
IUPAC Name	methyl 2,5-dibromo-1H-imidazole-4-carboxylate
InChI	InChI=1S/C5H4Br2N2O2/c1-11-4(10)2-3(6)9-5(7)8-2/h1H3,(H,8,9)
InChI Key	GZZUUHHVKJJFKF-UHFFFAOYSA-N
MDL Number	MFCD17011788
Molecular Formula	C5H4Br2N2O2
Molecular Weight	283.9055
SMILES	O=C(C1=C(Br)NC(Br)=N1)OC
Synonyms	883876-21-9, Methyl 2,5-dibromo-1H-imidazole-4-carboxylate, 2,5-Dibromo-1H-imidazole-4-carboxylic acid methyl ester, 1H-Imidazole-4-carboxylic acid, 2,5-dibromo-, methyl ester, methyl 2,4-dibromo-1H-imidazole-5-carboxylate, SCHEMBL4841941, SCHEMBL15050480, CTK8C6609, GZZUUHHVKJJFKF-UHFFFAOYSA-N, KS-000001EZ, MFCD17011788, ZINC66339404, AKOS015851972, AK-54103, DA-01899, TC-063379, FT-0744882, I12-0475,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.862g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.907g/mol
Monoisotopic Mass	281.864g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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