BRN 4539782

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

CAS: 78587-62-9

Molecular Formula	`C17H12ClNO4`
Molecular Weight	329.7 g/mol
LogP	3.3
Topological Polar Surface Area	65.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	329.04547
Heavy Atoms	23
Complexity	499.0

Chemical Identifiers

CAS Number	78587-62-9
SMILES	`COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Cl`
InChIKey	`HPFAEXOCBAFUKT-UHFFFAOYSA-N`

📖 Product Overview

BRN 4539782 (CAS: 78587-62-9) is a chemical compound with molecular formula C17H12ClNO4 and molecular weight 329.7 g/mol. Its IUPAC systematic name is methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate. LogP 3.3 Topological Polar Surface Area 65.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 329.04547 Heavy Atoms 23 Complexity 499.0 InChI Key: HPFAEXOCBAFUKT-UHFFFAOYSA-N. SMILES: COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)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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