5-Carboxy-2,3-dibromo-1H-pyrrole

CAS	34649-21-3
Structure
Description	4,5-Dibromo-1H-pyrrole-2-carboxylic acid is a marine derived natural products found in Agelas oroides.
Synonyms	4,5-Dibromo-2-pyrrolic acid
IUPAC Name	4,5-Dibromo-1H-pyrrole-2-carboxylic acid
Molecular Weight	268.89
Canonical SMILES	C1=C(NC(=C1Br)Br)C(=O)O
InChI	InChI=1S/C5H3Br2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10)
InChI Key	ZUROCNHARMFRKA-UHFFFAOYSA-N
Melting Point	>300 °C
Purity	95%+
Complexity	153
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	268.851
Heavy Atom Count	10
Monoisotopic Mass	266.85305
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	53.1 Ų