BRN 4545169

methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate

CAS: 78587-67-4

Molecular Formula	`C18H14ClNO4`
Molecular Weight	343.8 g/mol
LogP	3.9
Topological Polar Surface Area	65.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	343.06113
Heavy Atoms	24
Complexity	527.0

Chemical Identifiers

CAS Number	78587-67-4
SMILES	`CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Cl)C(=O)OC`
InChIKey	`XUTNGYIMWPBOHJ-UHFFFAOYSA-N`

📖 Product Overview

BRN 4545169 (CAS: 78587-67-4) is a chemical compound with molecular formula C18H14ClNO4 and molecular weight 343.8 g/mol. Its IUPAC systematic name is methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate. LogP 3.9 Topological Polar Surface Area 65.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 343.06113 Heavy Atoms 24 Complexity 527.0 InChI Key: XUTNGYIMWPBOHJ-UHFFFAOYSA-N. SMILES: CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Cl)C(=O)OC.

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

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