(4-Bromophenyl)(9-bromo-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
Basic information
- CAS
332063-03-3- Standard SMILES
O=C(c1ccc(Br)cc1)C1Oc2ccc(Br)cc2C2CC(c3cccs3)=NN12- InChIKey
ZXZZGCAVSWWECY-UHFFFAOYSA-N- Molecular formula
- C21H14Br2N2O2S
- Average molar mass
- 518.2 g/mol
- Monoisotopic mass
- 515.91427
Names & identifiers
- Preferred name
- (4-Bromophenyl)(9-bromo-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
- IUPAC
- (4-bromophenyl)-(9-bromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
- English name
- (4-bromophenyl)(9-bromo-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
- Molecular formula
- C21H14Br2N2O2S
- Molecular weight
- 518.22106
Names & synonyms
(4-bromophenyl)(9-bromo-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone332063-03-3(4-BROMOPHENYL)[9-BROMO-2-(2-THIENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZIN-5-YL]METHANONEOprea1_502164Oprea1_769672AKOS024421727(4-bromophenyl)-(9-bromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanoneAG-690/12409430
Database identifiers
- CAS
332063-03-3- PubChem CID
- 3121997
- EC Number
- 159-860-1
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 640
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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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