Basic information
- CAS
1167056-82-7- Standard SMILES
COc1cc(Cl)c2cc[nH]c2c1C- InChIKey
KYPKCHNJPQNLBP-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO
- Average molar mass
- 195.64 g/mol
- Monoisotopic mass
- 195.0450916
Names & identifiers
- Preferred name
- 4-chloro-6-methoxy-7-methyl-1H-indole
- IUPAC
- 4-chloro-6-methoxy-7-methyl-1H-indole
- English name
- 4-Chloro-6-Methoxy-7-Methyl indole
- Molecular formula
- C10H10ClNO
- Molecular weight
- 195.65
Names & synonyms
4-chloro-6-methoxy-7-methyl-1H-indole1167056-82-74-Chloro-6-methoxy-7-methyl indole1H-Indole, 4-chloro-6-methoxy-7-methyl-DTXSID801287760
Database identifiers
- CAS
1167056-82-7- PubChem CID
- 53399554
- DTXSID
DTXSID801287760
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 335 · 335.0±37.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 16.62 · 16.62±0.30(Predicted)
Chemistry & industry
Suppliers2 total
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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