Methyl 7-Fluoroindole-3-carboxylate - CAS 858515-78-3
Catalog: |
BB037742 |
Product Name: |
Methyl 7-Fluoroindole-3-carboxylate |
CAS: |
858515-78-3 |
Synonyms: |
7-fluoro-1H-indole-3-carboxylic acid methyl ester; methyl 7-fluoro-1H-indole-3-carboxylate |
IUPAC Name: | methyl 7-fluoro-1H-indole-3-carboxylate |
Description: | Methyl 7-Fluoroindole-3-carboxylate (CAS# 858515-78-3 ) is a useful research chemical. |
Molecular Weight: | 193.17 |
Molecular Formula: | C10H8FNO2 |
Canonical SMILES: | COC(=O)C1=CNC2=C1C=CC=C2F |
InChI: | InChI=1S/C10H8FNO2/c1-14-10(13)7-5-12-9-6(7)3-2-4-8(9)11/h2-5,12H,1H3 |
InChI Key: | CQNZFBRVWUXGST-UHFFFAOYSA-N |
LogP: | 2.09360 |
Publication Number | Title | Priority Date |
EP-2651919-A1 | Dimeric iap inhibitors | 20101213 |
TW-201307318-A | Dimerized IAP inhibitor | 20101213 |
US-2013309247-A1 | Dimeric iap inhibitors | 20101213 |
US-8993523-B2 | Dimeric IAP inhibitors | 20101213 |
WO-2012080271-A1 | Dimeric iap inhibitors | 20101213 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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