Methyl 2-Bromo-1-cyclopentenecarboxylate - CAS 320608-71-7

Catalog:	BB076867
Product Name:	Methyl 2-Bromo-1-cyclopentenecarboxylate
CAS:	320608-71-7
Synonyms:	2-Bromo-1-cyclopentene-1-carboxylic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl 2-bromocyclopentene-1-carboxylate
Description:	Methyl 2-Bromo-1-cyclopentenecarboxylate is a versatile reactant that can be derived from Cyclopentanone (C988395), which is a compound used in the synthesis of various simple and complex organic compounds. Cyclopentanone is also used in the synthesis of peptidase IV inhibitors for the treatment of type 2 diabetes.
Molecular Weight:	205.05
Molecular Formula:	C7H9BrO2
Canonical SMILES:	COC(=O)C1=C(CCC1)Br
InChI:	InChI=1S/C7H9BrO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4H2,1H3
InChI Key:	RZPNBYKTXKKJAE-UHFFFAOYSA-N
References:	Imamoto, T. et al. J. Am. Chem. Soc., 112, 5244 (1990); Augeri, D. et al. J. Med. Chem., 48, 5025 (2005).

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.97859
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7