Methyl 6-fluoro-1H-indole-4-carboxylate - CAS 1082040-43-4
Catalog: |
BB044624 |
Product Name: |
Methyl 6-fluoro-1H-indole-4-carboxylate |
CAS: |
1082040-43-4 |
Synonyms: |
6-Fluoro-1H-indole-4-carboxylic acid methyl ester; 6-Fluoro indole-4-methylcarboxylate; Rucaparib Intermediate 2 |
IUPAC Name: | methyl 6-fluoro-1H-indole-4-carboxylate |
Description: | Methyl 6-fluoro-1H-indole-4-carboxylate (CAS# 1082040-43-4 ) is a useful research chemical. |
Molecular Weight: | 193.17 |
Molecular Formula: | C10H8FNO2 |
Canonical SMILES: | COC(=O)C1=C2C=CNC2=CC(=C1)F |
InChI: | InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3 |
InChI Key: | CKFPLBCOOZCPOR-UHFFFAOYSA-N |
Boiling Point: | 343.7±27.0 °C (Predicted) |
Purity: | ≥ 98 % |
Density: | 1.341±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
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 |
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