Basic information
- CAS
885518-27-4- Standard SMILES
COC(=O)c1cc(F)c2cc[nH]c2c1- InChIKey
PKCZOOJRXJCMPM-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-6-carboxylate
- IUPAC
- methyl 4-fluoro-1H-indole-6-carboxylate
- English name
- 1H-Indole-6-carboxylic acid, 4-fluoro-, Methyl ester
- Molecular formula
- C10H8FNO2
- Molecular weight
- 193.17
Names & synonyms
Methyl 4-fluoro-1H-indole-6-carboxylate885518-27-41H-Indole-6-carboxylic acid, 4-fluoro-, Methyl esterMFCD07357296Methyl4-fluoro-1H-indole-6-carboxylate1H-INDOLE-6-CARBOXYLIC ACID,4-FLUORO-,METHYL ESTERSCHEMBL313962944-FLUORO-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTERDTXSID00646109AKOS006284310SB15123AS-77050
Show more names
4-Fluoro-6-indole Carbocylic acid methyl ester
SY111773CS-0036521F608266
Database identifiers
- CAS
885518-27-4- PubChem CID
- 24728024
- DTXSID
DTXSID00646109
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
- 343.7 · 343.7±27.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 15.2 · 15.20±0.30(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers36 total
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州启航生物科技有限公司18151111370
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
深圳市格物致欣化学技术有限公司13226079980 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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