Methyl 4-bromopyrrole-2-carboxylate

CAS	934-05-4
Structure
Description	Methyl 4-bromopyrrole-2-carboxylate is a marine derived natural products found in Lissodendoryx sp.
Synonyms	4-Bromo-2-(methoxycarbonyl)-1H-pyrrole
IUPAC Name	Methyl 4-bromo-1H-pyrrole-2-carboxylate
Molecular Weight	204.02
Canonical SMILES	COC(=O)C1=CC(=CN1)Br
InChI	InChI=1S/C6H6BrNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChI Key	ZXFCRVGOHJHZNF-UHFFFAOYSA-N
Boiling Point	290.5±20.0 °C (lit.)
Melting Point	100-101 °C
Purity	95%+
Density	1.674±0.06 g/cm³
Complexity	140
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	202.95819
Heavy Atom Count	10
Monoisotopic Mass	202.95819
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	42.1 Ų