Methyl 6-bromo-3-methyl-1H-indole-4-carboxylate
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Basic information
- CAS
1583272-35-8- Standard SMILES
COC(=O)c1cc(Br)cc2[nH]cc(C)c12- InChIKey
PNLGPLIMVBBGDD-UHFFFAOYSA-N- Molecular formula
- C11H10BrNO2
- Average molar mass
- 268.11 g/mol
Names & identifiers
- Preferred name
- Methyl 6-bromo-3-methyl-1H-indole-4-carboxylate
- IUPAC
- methyl 6-bromo-3-methyl-1H-indole-4-carboxylate
- English name
- Methyl 6-bromo-3-methyl-1H-indole-4-carboxylate
- Molecular formula
- C11H10BrNO2
- Molecular weight
- 268.11
Names & synonyms
Methyl 6-bromo-3-methyl-1H-indole-4-carboxylate1583272-35-8MFCD279523121H-Indole-4-carboxylic acid, 6-bromo-3-methyl-, methyl esterSCHEMBL20111796AKOS025396186PB40895AS-52705SY099148CS-0048938P15518Methyl6-bromo-3-methyl-1H-indole-4-carboxylate
Show more names
PNLGPLIMVBBGDD-UHFFFAOYSA-NMETHYL 6-BROMO-3-METHYL-1H-INDOLE-4-CARBOXYLATEMETHYL 6-BROMO-3-METHYL-1H-INDOLE-4-CARBOXYLATE
F513476
Database identifiers
- CAS
1583272-35-8
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 390.9 · 390.9±37.0 °C(Predicted)
- Density
- 1.556 · 1.556±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 15.17 · 15.17±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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