1H-Indole, 3-chloro-1-methyl-
Basic information
- CAS
124589-41-9- Standard SMILES
Cn1cc(Cl)c2ccccc21- InChIKey
NTDMKGOOZUQYDH-UHFFFAOYSA-N- Molecular formula
- C9H8ClN
- Average molar mass
- 165.62 g/mol
- Monoisotopic mass
- 165.034527
Names & identifiers
- Preferred name
- 1H-Indole, 3-chloro-1-methyl-
- IUPAC
- 3-chloro-1-methylindole
- English name
- 3-chloro-1-methyl-1H-indole
- Molecular formula
- C9H8ClN
- Molecular weight
- 165.62
Names & synonyms
124589-41-91H-Indole, 3-chloro-1-methyl-DTXSID10460095RefChem:238807DTXCID104109143-Chloro-1-methyl-1H-indole3-CHLORO-1-METHYLINDOLEMFCD129247493-chloro-1-methyl-indole3-chloro-N-methylindoleSCHEMBL938097SCHEMBL13459846
Show more names
SCHEMBL25328590SCHEMBL30450296AKOS017516150AB10986AS-44513DB-105441CS-0144026F474553
Database identifiers
- CAS
124589-41-9- PubChem CID
- 11252201
- DTXSID
DTXSID10460095- Nikkaji
- J2.477.013C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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