Methyl 3-(chlorocarbonyl)-5-nitrobenzoate

methyl 3-carbonochloridoyl-5-nitrobenzoate

CAS: 1955-04-0

Molecular Formula	`C9H6ClNO5`
Molecular Weight	243.6 g/mol
LogP	2.5
Topological Polar Surface Area	89.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	242.99345
Heavy Atoms	16
Complexity	314.0

Chemical Identifiers

CAS Number	1955-04-0
SMILES	`COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Cl`
InChIKey	`DQTOZIJNMYYCJE-UHFFFAOYSA-N`

📖 Product Overview

Methyl 3-(chlorocarbonyl)-5-nitrobenzoate (CAS: 1955-04-0) is a chemical compound with molecular formula C9H6ClNO5 and molecular weight 243.6 g/mol. Its IUPAC systematic name is methyl 3-carbonochloridoyl-5-nitrobenzoate. LogP 2.5 Topological Polar Surface Area 89.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 242.99345 Heavy Atoms 16 Complexity 314.0 InChI Key: DQTOZIJNMYYCJE-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Cl.

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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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Frequently Asked Questions

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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