5-Bromopyrrole-2-carboxylic Acid - CAS 28383-57-5

Catalog:	BB019834
Product Name:	5-Bromopyrrole-2-carboxylic Acid
CAS:	28383-57-5
Synonyms:	5-bromo-1H-pyrrole-2-carboxylic acid; 5-bromo-1H-pyrrole-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-1H-pyrrole-2-carboxylic acid
Description:	5-Bromopyrrole-2-carboxylic Acid (CAS# 28383-57-5) is a useful research chemical.
Molecular Weight:	189.99
Molecular Formula:	C5H4BrNO2
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
Appearance:	Solid
LogP:	1.47540

Publication Number	Title	Priority Date
EP-2948454-A1	Triazine compounds and a process for preparation thereof	20130124
WO-2014115171-A1	Triazine compounds and a process for preparation thereof	20130124
TW-I378096-B	Heterocyclic compound and use thereof	20080619
MX-PA02005124-A	ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL EYES, AND MATERIALS FOR SYNTHESIS.	19991203
AU-1797900-A	Aromatic heterocycle compounds having hiv integrase inhibiting activities	19981225

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Carbonyl Compounds

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Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.94254
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.94254
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6