(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate

CAS: 40967-07-5

Molecular Formula	`C18H12Cl4N2O3`
Molecular Weight	446.1 g/mol
LogP	4.6
Topological Polar Surface Area	59.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	445.95724
Heavy Atoms	27
Complexity	616.0

Chemical Identifiers

CAS Number	40967-07-5
SMILES	`CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)C(Cl)(Cl)Cl)C3=CC=CC=C3`
InChIKey	`SRXPVAFPZMREOY-UHFFFAOYSA-N`

📖 Product Overview

(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate (CAS: 40967-07-5) is a chemical compound with molecular formula C18H12Cl4N2O3 and molecular weight 446.1 g/mol. Its IUPAC systematic name is (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate. LogP 4.6 Topological Polar Surface Area 59.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 445.95724 Heavy Atoms 27 Complexity 616.0 InChI Key: SRXPVAFPZMREOY-UHFFFAOYSA-N. SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)C(Cl)(Cl)Cl)C3=CC=CC=C3.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate.

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