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[2-(3-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

[2-(3-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate structure

CAS No:
355420-92-7
Formula:
C27H22N2O5
Chemical Name:
[2-(3-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
Synonyms:
Oprea1_359668;ZINC2312957;STK269857;AKOS003285594;MCULE-4709270603;ST50855441;2-(3-nitrophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylate;2-(3-nitrophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carbox ylate;2-(3-nitrophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate;2-(3-Nitrophenyl)-2-oxoethyl 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate;355420-92-7

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[2-(3-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Basic Attributes

Molecular Weight：

454.5 g/mol

Exact Mass：

454.15287181 g/mol

Characteristics

PSA：

102 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:454.5
XLogP3:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:454.15287181
Monoisotopic Mass:454.15287181
Topological Polar Surface Area:102
Heavy Atom Count:34
Complexity:744
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(3-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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