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Basic information
- CAS
383131-67-7- Standard SMILES
Cc1[nH]c2c(F)cccc2c1CC(=O)O- InChIKey
PSLVJYXNRARBKF-UHFFFAOYSA-N- Molecular formula
- C11H10FNO2
- Average molar mass
- 207.2 g/mol
- Monoisotopic mass
- 207.06955672
Names & identifiers
- Preferred name
- (7-fluoro-2-methyl-1H-indol-3-yl)acetic acid
- IUPAC
- 2-(7-fluoro-2-methyl-1H-indol-3-yl)acetic acid
- English name
- (7-Fluoro-2-methyl-1H-indol-3-yl)acetic acid
- Molecular formula
- C11H10FNO2
- Molecular weight
- 207.2
Names & synonyms
383131-67-7(7-fluoro-2-methyl-1H-indol-3-yl)acetic acid2-(7-fluoro-2-methyl-1H-indol-3-yl)acetic Acid7-Fluoro-2-methyl-1H-indole-3-acetic AcidMFCD026643761H-Indole-3-acetic acid, 7-fluoro-2-methyl-Oprea1_317047SCHEMBL4470156DTXSID60405794PSLVJYXNRARBKF-UHFFFAOYSA-NAC6045AKOS001475804
Show more names
OTAVA-BB 1149928CHEMBRDG-BB 4006285(7-fluoro-2-methyl-1H-indol-3-yl)acetic acid(SALTDATA: FREE)
SY247801DB-344800CS-03179152-(7-fluoro-2-methyl-1H-indol-3-yl)aceticAcidF308683
Database identifiers
- CAS
383131-67-7- PubChem CID
- 4714944
- DTXSID
DTXSID60405794
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 421.1 · 421.1±40.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P362+P364
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- 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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P305+P351+P338-P362+P364
Chemistry & industry
Applications
Uses(7-Fluoro-2-methyl-1H-indol-3-yl)acetic Acid is used in the preparation of aminobenzamides, aminopyridinecarboxamides and aminopyrimidinecarboxamides as TMEM16A modulators for treatment of diseases
Suppliers11 total
安徽合诺生物科技有限公司18455579438
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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