Methyl 3,4-Dichloropyrrole-2-carboxylate - CAS 1196-06-1

Catalog:	BB004535
Product Name:	Methyl 3,4-Dichloropyrrole-2-carboxylate
CAS:	1196-06-1
Synonyms:	3,4-dichloro-1H-pyrrole-2-carboxylic acid methyl ester; methyl 3,4-dichloro-1H-pyrrole-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3,4-dichloro-1H-pyrrole-2-carboxylate
Description:	Methyl 3,4-Dichloropyrrole-2-carboxylate (CAS# 1196-06-1 ) is a useful research chemical.
Molecular Weight:	194.02
Molecular Formula:	C6H5Cl2NO2
Canonical SMILES:	COC(=O)C1=C(C(=CN1)Cl)Cl
InChI:	InChI=1S/C6H5Cl2NO2/c1-11-6(10)5-4(8)3(7)2-9-5/h2,9H,1H3
InChI Key:	QOWPRHXYURDOBN-UHFFFAOYSA-N
LogP:	2.10810

Publication Number	Title	Priority Date
AU-2007266840-A1	Pyrrolo[1,2-A]pyrazin-1(2H)-one and pyrrolo[1,2-D][1,2,4]triazin-1(2H)-one derivatives as inhibitors of poly(ADP-ribose)polymerase(PARP)	20060531
AU-2007266840-B2	Pyrrolo[1,2-A]pyrazin-1(2H)-one and pyrrolo[1,2-D][1,2,4]triazin-1(2H)-one derivatives as inhibitors of poly(ADP-ribose)polymerase(PARP)	20060531
EP-2032140-A1	Pyrrolo[1,2-a]pyrazin-1(2h)-one and pyrrolo[1,2-d][1,2,4]triazin-1(2h)-one derivatives as inhibitors of poly(adp-ribose)polymerase(parp)	20060531
US-2009209523-A1	Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp)	20060531
US-7834015-B2	Pyrrolo[1,2-a] pyrazin-1(2H)-one and pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one derivatives as inhibitors of poly(ADP-ribose)polymerase (PARP)	20060531

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.9697338
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.9697338
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2