5-Bromopyrrole-2-carboxylic acid

CAS	28383-57-5
Structure
Description	5-Bromo-1H-pyrrole-2-carboxylic acid is a marine derived natural products found in Agelas cerebrum.
IUPAC Name	5-Bromo-1H-pyrrole-2-carboxylic acid
Molecular Weight	189.99
Canonical SMILES	C1=C(NC(=C1)Br)C(=O)O
InChI	InChI=1S/C5H4BrNO2/c6-4-2-1-3(7-4)5(8)9/h1-2,7H,(H,8,9)
InChI Key	XBIXQQWGBUFUDE-UHFFFAOYSA-N
Purity	95%+
Complexity	128
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	188.94254
Heavy Atom Count	9
Monoisotopic Mass	188.94254
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