(7-Chloro-2-methyl-1H-indol-3-yl)-acetic acid
Basic information
- CAS
25177-74-6- Standard SMILES
Cc1[nH]c2c(Cl)cccc2c1CC(=O)O- InChIKey
OAQUVRVTNMDKGG-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO2
- Average molar mass
- 223.65 g/mol
- Monoisotopic mass
- 223.0400063
Names & identifiers
- Preferred name
- (7-Chloro-2-methyl-1H-indol-3-yl)-acetic acid
- IUPAC
- 2-(7-chloro-2-methyl-1H-indol-3-yl)acetic acid
- English name
- (7-Chloro-2-methyl-1H-indol-3-yl)-acetic acid
- Molecular formula
- C11H10ClNO2
- Molecular weight
- 223.66
Names & synonyms
25177-74-6(7-Chloro-2-methyl-1H-indol-3-yl)-acetic acid2-(7-chloro-2-methyl-1H-indol-3-yl)acetic Acid(7-chloro-2-methyl-1H-indol-3-yl)acetic acidDTXSID40398175AKOS005208314EN300-2362652-(7-chloro-2-methyl-1H-indol-3-yl)aceticAcidF495156F2113-04871H-Indole-3-acetic acid, 7-chloro-2-methyl-
Database identifiers
- CAS
25177-74-6- PubChem CID
- 3949302
- DTXSID
DTXSID40398175
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 164 · 164-164.5 °C
- Boiling point
- 448.4 · 448.4±40.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 4.07 · 4.07±0.30(Predicted)
- 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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