Bis(3-chloropropyl) Ether - CAS 629-36-7

Catalog:	BB031889
Product Name:	Bis(3-chloropropyl) Ether
CAS:	629-36-7
Synonyms:	1-chloro-3-(3-chloropropoxy)propane; 1-chloro-3-(3-chloropropoxy)propane

Technical Data

Patents

Computed Properties

IUPAC Name:	1-chloro-3-(3-chloropropoxy)propane
Description:	Bis(3-chloropropyl) Ether (CAS# 629-36-7 ) is a useful research chemical.
Molecular Weight:	171.06
Molecular Formula:	C6H12Cl2O
Canonical SMILES:	C(COCCCCl)CCl
InChI:	InChI=1S/C6H12Cl2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChI Key:	SMANNJALMIGASX-UHFFFAOYSA-N
Boiling Point:	210.2 °C at 760 mmHg
Density:	1.091 g/cm³
LogP:	2.26080

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Complexity:	44.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0265204
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.0265204
Rotatable Bond Count:	6
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2