Methyl 5-Bromopyrrole-2-carboxylate - CAS 934-07-6

Catalog:	BB040909
Product Name:	Methyl 5-Bromopyrrole-2-carboxylate
CAS:	934-07-6
Synonyms:	5-bromo-1H-pyrrole-2-carboxylic acid methyl ester; methyl 5-bromo-1H-pyrrole-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-bromo-1H-pyrrole-2-carboxylate
Description:	Methyl 5-Bromopyrrole-2-carboxylate (CAS# 934-07-6) is a useful research chemical compound.
Molecular Weight:	204.02
Molecular Formula:	C6H6BrNO2
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:	290.485 °C at 760 mmHg
Density:	1.675 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.56380

Publication Number	Title	Priority Date
WO-2020245297-A1	Pyrrole derivatives as acc inhibitors	20190606
CN-110869369-A	Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof	20170519
EP-3626718-A1	Five- and six-membered aza-aromatic compound, preparation method therefor, pharmaceutical composition, and application	20170519
US-2020172521-A1	Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof	20170519
WO-2018210314-A1	Five- and six-membered aza-aromatic compound, preparation method therefor, pharmaceutical composition, and application	20170519

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.95819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.95819
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9