BRN 4539787

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

CAS: 78597-73-6

Molecular Formula	`C17H12BrNO4`
Molecular Weight	374.2 g/mol
LogP	3.4
Topological Polar Surface Area	65.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	372.99496
Heavy Atoms	23
Complexity	499.0

Chemical Identifiers

CAS Number	78597-73-6
SMILES	`COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Br`
InChIKey	`YTARYBDBZBKRGG-UHFFFAOYSA-N`

📖 Product Overview

BRN 4539787 (CAS: 78597-73-6) is a chemical compound with molecular formula C17H12BrNO4 and molecular weight 374.2 g/mol. Its IUPAC systematic name is methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate. LogP 3.4 Topological Polar Surface Area 65.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 372.99496 Heavy Atoms 23 Complexity 499.0 InChI Key: YTARYBDBZBKRGG-UHFFFAOYSA-N. SMILES: COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Br.

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