Basic information
- CAS
16382-19-7- Standard SMILES
CCOC(=O)c1[nH]c2ccc(F)cc2c1C- InChIKey
KLUPNBFUMHAPHG-UHFFFAOYSA-N- Molecular formula
- C12H12FNO2
- Average molar mass
- 221.23 g/mol
- Monoisotopic mass
- 221.08520684
Names & identifiers
- Preferred name
- ethyl 5-fluoro-3-methyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-fluoro-3-methyl-1H-indole-2-carboxylate
- English name
- Ethyl 5-fluoro-3-methyl-1H-indole-2-carboxylate
- Molecular formula
- C12H12FNO2
- Molecular weight
- 221.23
Names & synonyms
ethyl 5-fluoro-3-methyl-1H-indole-2-carboxylate16382-19-7C12H12FNO25-Fluoro-3-methyl-1H-indole-2-carboxylic acid ethyl esterSCHEMBL3283431DTXSID00359005KLUPNBFUMHAPHG-UHFFFAOYSA-NBBL010953MFCD03695159STK802062AKOS004119641VS-02767
Show more names
1H-Indole-2-carboxylic acid, 5-fluoro-3-methyl-, ethyl ester
ethyl5-fluoro-3-methyl-1H-indole-2-carboxylate
Database identifiers
- CAS
16382-19-7- PubChem CID
- 930786
- DTXSID
DTXSID00359005
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 121 · 121-123 °C
- Boiling point
- 347.6 · 347.6±37.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.30(Predicted)
Chemistry & industry
Suppliers5 total
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
8 records
Compound notes
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