1-(3-Chloropropyl)imidazole - CAS 53710-78-4

Catalog:	BB028334
Product Name:	1-(3-Chloropropyl)imidazole
CAS:	53710-78-4
Synonyms:	1-(3-chloropropyl)imidazole; 1-(3-chloropropyl)imidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-chloropropyl)imidazole
Description:	1-(3-Chloropropyl)imidazole (CAS# 53710-78-4) is used in the synthesis of magnetic nanoparticles which are catalyst for organic rransformations.
Molecular Weight:	144.60
Molecular Formula:	C6H9ClN2
Canonical SMILES:	C1=CN(C=N1)CCCCl
InChI:	InChI=1S/C6H9ClN2/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2
InChI Key:	ALIORLVEFABXRY-UHFFFAOYSA-N
LogP:	1.51200

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Related Functional Groups

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Complexity:	77.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.045426
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.045426
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9