Methyl 2-Chloro-1-cyclopentenecarboxylate - CAS 66839-38-1

Catalog:	BB076865
Product Name:	Methyl 2-Chloro-1-cyclopentenecarboxylate
CAS:	66839-38-1
Synonyms:	Methyl 2-Chlorocyclopent-1-enecarboxylate; 2-Chloro-1-cyclopentene-1-carboxylic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl 2-chlorocyclopentene-1-carboxylate
Description:	Methyl 2-Chloro-1-cyclopentenecarboxylate is a versatile reactant that can be synthesized from Methyl 2-Cyclopentanonecarboxylate (M294705), which is used in the preparation of functionalized ketones.
Molecular Weight:	160.6
Molecular Formula:	C7H9ClO2
Canonical SMILES:	COC(=O)C1=C(CCC1)Cl
InChI:	InChI=1S/C7H9ClO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4H2,1H3
InChI Key:	VENYKUCNYIQEBO-UHFFFAOYSA-N
References:	Mashima, K. et al. J. Org. Chem., 59, 3064 (1994); Hamashima, Y. et al. J. Am. Chem. Soc., 124, 11240 (2002).

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0291072
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.0291072
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7