Name: Name:7-bromo-8-fluoro-2-methoxy-3a-methyl-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one
Brand: Angene
SKU: AG01ALSJ
Rating: 90 (10 reviews)

7-bromo-8-fluoro-2-methoxy-3a-methyl-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

CAS No.:

1803570-46-8

Catalog Number:

AG01ALSJ

Molecular Formula:

C13H14BrFN2O2

Molecular Weight:

329.1649

Catalog Number:

AG01ALSJ

Chemical Name:

7-bromo-8-fluoro-2-methoxy-3a-methyl-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

CAS Number:

1803570-46-8

Molecular Formula:

C13H14BrFN2O2

Molecular Weight:

329.1649

MDL Number:

MFCD28968241

IUPAC Name:

7-bromo-8-fluoro-2-methoxy-3a-methyl-1,2,3,5-tetrahydropyrrolo[1,2-a]quinoxalin-4-one

InChI:

InChI=1S/C13H14BrFN2O2/c1-13-5-7(19-2)6-17(13)11-4-9(15)8(14)3-10(11)16-12(13)18/h3-4,7H,5-6H2,1-2H3,(H,16,18)

InChI Key:

LRECPTRYJIFBLR-UHFFFAOYSA-N

SMILES:

CC12CC(CN1c1cc(F)c(cc1NC2=O)Br)OC

Complexity:

397

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.169g/mol

Monoisotopic Mass:

328.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1