4-[9-Bromo-5-(4-pyridinyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazin-2-YL]phenyl methyl ether
Basic information
- CAS
303061-12-3- Standard SMILES
COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC3c2ccncc2)cc1- InChIKey
UMLPMZKGGPUJSG-UHFFFAOYSA-N- Molecular formula
- C22H18BrN3O2
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 435.05824
Names & identifiers
- Preferred name
- 4-[9-Bromo-5-(4-pyridinyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazin-2-YL]phenyl methyl ether
- IUPAC
- 9-bromo-2-(4-methoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Names & synonyms
303061-12-34-[9-bromo-5-(4-pyridinyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether4-(9-BROMO-5-(4-PYRIDINYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZIN-2-YL)PHENYL METHYL ETHERRefChem:514910662-357-49-Bromo-2-(4-methoxyphenyl)-5-(pyridin-4-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineNSC808977STK867509AKOS001697091AKOS016099629CCG-118953NSC-808977
Show more names
ST50079236AG-690/124071461-(2-bromo-6-(4-pyridyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-9-yl))- 4-methoxybenzene4-(9-bromo-5-pyridin-4-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenyl methyl ether9-bromo-2-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine9-bromo-2-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Database identifiers
- CAS
303061-12-3- PubChem CID
- 4371992
- EC Number
- 662-357-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 574
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
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Compound notes
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