5-Fluoro-2-methylindole - CAS 399-72-4
Catalog: |
BB024228 |
Product Name: |
5-Fluoro-2-methylindole |
CAS: |
399-72-4 |
Synonyms: |
5-fluoro-2-methyl-1H-indole |
IUPAC Name: | 5-fluoro-2-methyl-1H-indole |
Description: | 5-Fluoro-2-methylindole (CAS# 399-72-4) is a useful research chemical. |
Molecular Weight: | 149.16 |
Molecular Formula: | C9H8FN |
Canonical SMILES: | CC1=CC2=C(N1)C=CC(=C2)F |
InChI: | InChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3 |
InChI Key: | JJIUISYYTFDATN-UHFFFAOYSA-N |
Boiling Point: | 269.2 °C at 760 mmHg |
Melting Point: | 98-101 °C |
Purity: | 95 % |
Density: | 1.219 g/cm3 |
MDL: | MFCD02093649 |
LogP: | 2.61540 |
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 |
CN-112111557-A | Surfactant-free urine analysis quality control liquid | 20200922 |
US-2021115038-A1 | Malic enzyme inhibitors | 20191017 |
WO-2020106695-A1 | Methods of treating cancer | 20181119 |
TW-202038943-A | Methods of treating cancer | 20181119 |
EP-3883605-A1 | Methods of treating cancer | 20181119 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.064077422 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.064077422 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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