AC1LD2PU structure

AC1LD2PU

methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

Also Known As: methyl 2-((3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate|methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate|methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

CAS: 1164548-04-2
Molecular Formula C19H13BrN2O5
Molecular Weight 428.0008 g/mol
LogP 3.2
Topological Polar Surface Area 85.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 428.0008
Monoisotopic Mass 428.0008
Heavy Atoms 27
Complexity 673.0

Chemical Identifiers

CAS Number 1164548-04-2
SMILES COC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)Br
InChIKey IRDPHMCVNASMCQ-ZBFHGGJFSA-N

Product Overview

AC1LD2PU (CAS 1164548-04-2), with molecular formula C19H13BrN2O5 and molecular weight 428.0008 g/mol. IUPAC: methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.

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