Methyl 4-Fluoroindole-3-carboxylate - CAS 1220039-52-0
Catalog: |
BB005321 |
Product Name: |
Methyl 4-Fluoroindole-3-carboxylate |
CAS: |
1220039-52-0 |
Synonyms: |
4-fluoro-1H-indole-3-carboxylic acid methyl ester; methyl 4-fluoro-1H-indole-3-carboxylate |
IUPAC Name: | methyl 4-fluoro-1H-indole-3-carboxylate |
Description: | Methyl 4-Fluoroindole-3-carboxylate (CAS# 1220039-52-0) is a useful research chemical. |
Molecular Weight: | 193.17 |
Molecular Formula: | C10H8FNO2 |
Canonical SMILES: | COC(=O)C1=CNC2=C1C(=CC=C2)F |
InChI: | InChI=1S/C10H8FNO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3 |
InChI Key: | JADKJZGVQAWWPT-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2918925-A1 | Indol and indazol derivatives | 20130927 |
EP-3049391-A1 | Indol and indazol derivatives | 20130927 |
EP-3049391-B1 | Indole and indazole derivatives | 20130927 |
JP-2016534026-A | Indole and indazole derivatives | 20130927 |
JP-6185660-B2 | Indole and indazole derivatives | 20130927 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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