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 |
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 |
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 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS