[7,9-Dichloro-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazin-5-YL](4-methoxyphenyl)methanone

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Basic information

CAS: 303104-57-6
Standard SMILES: COc1ccc(C(=O)C2Oc3c(Cl)cc(Cl)cc3C3CC(c4ccc(OC)cc4)=NN23)cc1
InChIKey: PWOGYUGETJCDTK-UHFFFAOYSA-N
Molecular formula: C25H20Cl2N2O4
Average molar mass: 483.3 g/mol
Monoisotopic mass: 482.0800125

Names & identifiers

Preferred name: [7,9-Dichloro-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazin-5-YL](4-methoxyphenyl)methanone
IUPAC: [7,9-dichloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-methoxyphenyl)methanone

Names & synonyms

[7,9-DICHLORO-2-(4-METHOXYPHENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZIN-5-YL](4-METHOXYPHENYL)METHANONE303104-57-6(7,9-DICHLORO-2-(4-METHOXYPHENYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZIN-5-YL)(4-METHOXYPHENYL)METHANONERefChem:405279652-372-4AKOS024424183

Database identifiers

CAS: 303104-57-6
PubChem CID: 4249599
EC Number: 652-372-4

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 736

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 · 4 items

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, P391, 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%)

Related reactions

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Compound notes

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