4,5-Dibromo-1-methyl-1H-pyrrole-2-carboxylic acid

CAS	66067-06-9
Description	4,5-Dibromo-1-methylpyrrole-2-carboxylic acid is a marine derived natural products found in Agelas flabelliformis.
Synonyms	1-Methyl-4,5-dibromopyrrole-2-carboxylic acid
IUPAC Name	4,5-Dibromo-1-methylpyrrole-2-carboxylic acid
Molecular Weight	282.92
Canonical SMILES	CN1C(=CC(=C1Br)Br)C(=O)O
InChI	InChI=1S/C6H5Br2NO2/c1-9-4(6(10)11)2-3(7)5(9)8/h2H,1H3,(H,10,11)
InChI Key	OZAXVWIMCAEERV-UHFFFAOYSA-N
Purity	95%+
Complexity	176
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	282.86665
Heavy Atom Count	11
Monoisotopic Mass	280.8687
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	42.2 Ų