1H-Pyrrole-2-carboxylic acid, 5-bromo-, methyl ester

CAS	934-07-6
Structure
Description	Methyl 5-bromo-1H-pyrrole-2-carboxylate is a marine derived natural products found in Lissodendoryx sp.
Synonyms	5-Bromo-1h-pyrrole-2-carboxylic acid methyl ester
IUPAC Name	Methyl 5-bromo-1H-pyrrole-2-carboxylate
Molecular Weight	204.02
Canonical SMILES	COC(=O)C1=CC=C(N1)Br
InChI	InChI=1S/C6H6BrNO2/c1-10-6(9)4-2-3-5(7)8-4/h2-3,8H,1H3
InChI Key	ZYBOXSDTMZRWBC-UHFFFAOYSA-N
Boiling Point	290.5±20.0 °C
Melting Point	101-103 °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