Basic information
- CAS
1252782-43-6- Standard SMILES
COC(=O)c1ccc2[nH]ccc2c1F- InChIKey
XMAMXSQVTKMOPG-UHFFFAOYSA-N- Molecular formula
- C10H8FNO2
- Average molar mass
- 193.17 g/mol
- Monoisotopic mass
- 193.05390666
Names & identifiers
- Preferred name
- methyl 4-fluoro-1H-indole-5-carboxylate
- IUPAC
- methyl 4-fluoro-1H-indole-5-carboxylate
- English name
- 1H-Indole-5-carboxylic acid, 4-fluoro-, Methyl ester
- Molecular formula
- C10H8FNO2
- Molecular weight
- 193.17
Names & synonyms
methyl 4-fluoro-1H-indole-5-carboxylate1252782-43-6MFCD213366901H-Indole-5-carboxylic acid, 4-fluoro-, Methyl esterSCHEMBL912821SCHEMBL31556367XMAMXSQVTKMOPG-UHFFFAOYSA-NAKOS022187264DS-8683methyl4-fluoro-1H-indole-5-carboxylateSY103821DB-143293
Show more names
Methyl 4-fluoro indole -5-carboxylate
CS-0054246C71995F379875
Database identifiers
- CAS
1252782-43-6- PubChem CID
- 59625958
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 347.3 · 347.3±27.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.49 · 15.49±0.30(Predicted)
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Chemistry & industry
Suppliers20 total
韶远科技(上海)有限公司4000665055 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
深圳市格物致欣化学技术有限公司13226079980 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
上海奥德瑞康医药有限公司18902198068 18912886236 · [email protected]
Related reactions
11 records
Compound notes
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