4,5-Dibromo-1H-pyrrole-2-carbaldehyde - CAS 932-82-1

Catalog:	BB040836
Product Name:	4,5-Dibromo-1H-pyrrole-2-carbaldehyde
CAS:	932-82-1
Synonyms:	4,5-dibromo-1H-pyrrole-2-carboxaldehyde; 4,5-dibromo-1H-pyrrole-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4,5-dibromo-1H-pyrrole-2-carbaldehyde
Description:	4,5-Dibromo-1H-pyrrole-2-carbaldehyde (CAS# 932-82-1) is a useful research chemical.
Molecular Weight:	252.89
Molecular Formula:	C5H3Br2NO
Canonical SMILES:	C1=C(NC(=C1Br)Br)C=O
InChI:	InChI=1S/C5H3Br2NO/c6-4-1-3(2-9)8-5(4)7/h1-2,8H
InChI Key:	IJBMHOCPMBSRPX-UHFFFAOYSA-N
Boiling Point:	341.9 °C at 760 mmHg
Density:	2.262 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.35220

Publication Number	Title	Priority Date
CN-111592561-A	Asymmetric diimine titanium group metal complex and preparation method and application thereof	20200529
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-3883516-A	Pyrrole-2-carboxaldehyde derivatives	19730411

PMID	Publication Date	Title	Journal
20098608	20091127	A submarine journey: the pyrrole-imidazole alkaloids	Marine drugs
16928079	20060831	Concise total synthesis of the marine natural product ageladine A	Organic letters

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Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.85609
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	250.85814
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2