5-Bromovaleryl chloride - CAS 4509-90-4

Catalog:	BB025764
Product Name:	5-Bromovaleryl chloride
CAS:	4509-90-4
Synonyms:	5-bromopentanoyl chloride

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Computed Properties

IUPAC Name:	5-bromopentanoyl chloride
Description:	5-Bromovaleryl chloride (CAS# 4509-90-4) is a useful reagent for the photoinduced fragmentation borylation of phthalimido cycloalkanols.
Molecular Weight:	199.47
Molecular Formula:	C5H8BrClO
Canonical SMILES:	C(CCBr)CC(=O)Cl
InChI:	InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
InChI Key:	OKRUMSWHDWKGHA-UHFFFAOYSA-N
Boiling Point:	116-118 ℃ (33 mmHg)
Purity:	95 %
Density:	1.49 g/cm³
Appearance:	Clear colorless to slightly yellow liquid
MDL:	MFCD00013660
LogP:	2.31700

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PMID	Publication Date	Title	Journal
18205934	20080118	Analogues of amphibian alkaloids: total synthesis of (5R,8S,8aS)-(-)-8-methyl-5-pentyloctahydroindolizine (8-epi-indolizidine 209B) and [(1S,4R,9aS)-(-)-4-pentyloctahydro-2H-quinolizin-1-yl]methanol	Beilstein journal of organic chemistry

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Complexity:	74.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.94471
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.94471
Rotatable Bond Count:	4
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2