methyl 3-amino-5-fluoro-1H-indole-2-carboxylate
Basic information
- CAS
436088-83-4- Standard SMILES
COC(=O)c1[nH]c2ccc(F)cc2c1N- InChIKey
NPLGYDWUOAONMC-UHFFFAOYSA-N- Molecular formula
- C10H9FN2O2
- Average molar mass
- 208.19 g/mol
- Monoisotopic mass
- 208.0648057
Names & identifiers
- Preferred name
- methyl 3-amino-5-fluoro-1H-indole-2-carboxylate
- IUPAC
- methyl 3-amino-5-fluoro-1H-indole-2-carboxylate
- English name
- 3-Amino-5-fluoro-1H-indole-2-carboxylic acid methyl ester
- Molecular formula
- C10H9FN2O2
- Molecular weight
- 208.19
Names & synonyms
methyl 3-amino-5-fluoro-1H-indole-2-carboxylate436088-83-4DTXSID60355306RefChem:354850DTXCID903063663-Amino-5-fluoro-1H-indole-2-carboxylic acid methyl estermethyl 3-amino-5-fluoroindole-2-carboxylate3-AMINO-5-FLUORO-1 H -INDOLE-2-CARBOXYLIC ACID METHYL ESTERMFCD03446209BAS 04456665Oprea1_340263Oprea1_352700
Show more names
AKOS JY2083673CBI-BB ZERO/0051121H-Indole-2-carboxylic acid, 3-amino-5-fluoro-, methyl ester1H-Indole-2-carboxylicacid,3-amino-5-fluoro-,methylester(9CI)
HMS1681J16SBB013164STK776268AKOS000266658FS-1964ST098475CS-0313190methyl3-amino-5-fluoro-1H-indole-2-carboxylate
Database identifiers
- CAS
436088-83-4- PubChem CID
- 796235
- DTXSID
DTXSID60355306
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- 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
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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