(4-Chlorophenyl)(imidazo(1,2-A)pyrimidin-3-YL)methanone
Basic information
- CAS
853334-53-9- Standard SMILES
O=C(c1ccc(Cl)cc1)c1cnc2ncccn12- InChIKey
QONAVQIYUSXPRK-UHFFFAOYSA-N- Molecular formula
- C13H8ClN3O
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0355896
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(imidazo(1,2-A)pyrimidin-3-YL)methanone
- IUPAC
- (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
Names & synonyms
(4-Chlorophenyl)(imidazo[1,2-a]pyrimidin-3-yl)methanone853334-53-9(4-chlorophenyl)(imidazo(1,2-a)pyrimidin-3-yl)methanoneRefChem:402678662-876-6CHEMBL5569394HMS1655I08AKOS024321008SR-01000018105SR-01000018105-1
Database identifiers
- CAS
853334-53-9- PubChem CID
- 7150862
- ChEMBL
CHEMBL5569394- EC Number
- 662-876-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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