Basic information
- CAS
1782640-77-0- Standard SMILES
COc1cc(Cl)cc2[nH]c(C(=O)O)cc12- InChIKey
XWTMCWOYEZEPKU-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO3
- Average molar mass
- 225.63 g/mol
- Monoisotopic mass
- 225.0192708
Names & identifiers
- Preferred name
- 6-chloro-4-methoxy-1H-indole-2-carboxylic acid
- IUPAC
- 6-chloro-4-methoxy-1H-indole-2-carboxylic acid
Names & synonyms
6-chloro-4-methoxy-1H-indole-2-carboxylic acid1782640-77-0RefChem:541715899-974-5MFCD315596396-Chloro-4-methoxyindole-2-carboxylic AcidSCHEMBL24020641HWC64077AKOS023566085SY369228DB-428654CS-0434058
Show more names
6-chloro-4-methoxy-1H-indole-2-carboxylicacidH42582EN300-1068192F7630831H-Indole-2-carboxylic acid, 6-chloro-4-methoxy-Z2733251540
Database identifiers
- CAS
1782640-77-0- PubChem CID
- 83823398
- EC Number
- 899-974-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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