Nsc350984
Basic information
- CAS
77784-62-4- Standard SMILES
O=c1c2ccccc2nc(C(F)(F)F)n1CCc1c[nH]c2ccccc12- InChIKey
ABBNVHRKXQBPTQ-UHFFFAOYSA-N- Molecular formula
- C19H14F3N3O
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 357.10889656
Names & identifiers
- Preferred name
- Nsc350984
- IUPAC
- 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one
Names & synonyms
NSC35098477784-62-4DTXSID20319803RefChem:854898DTXCID80270926NSC-3509843-[2-(1H-Indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4(3H)-one
Database identifiers
- CAS
77784-62-4- PubChem CID
- 336440
- DTXSID
DTXSID20319803- EC Number
- 632-843-0
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 577
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
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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