Basic information
- CAS
1306081-70-8- Standard SMILES
O=C(O)CCCN1C(=O)C(=O)c2cccc(Cl)c21- InChIKey
UHVPIOOBAATFFJ-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO4
- Average molar mass
- 267.66 g/mol
- Monoisotopic mass
- 267.0298355
Names & identifiers
- Preferred name
- 4-(7-chloro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)butanoic acid
- IUPAC
- 4-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid
Names & synonyms
1306081-70-84-(7-chloro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)butanoic acidRefChem:514892850-564-44-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid4-(7-Chloro-2,3-dioxoindolin-1-yl)butanoic acid4-(7-chloro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)butanoicacidAKOS010612354G51596EN300-7564418Z808195682
Database identifiers
- CAS
1306081-70-8- PubChem CID
- 61355822
- EC Number
- 850-564-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
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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