Name: Name:1-{2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-bromoethan-1-one
Brand: Angene
SKU: AG01B848
Rating: 90 (10 reviews)

1-{2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-bromoethan-1-one

CAS No.:

43170-50-9

Catalog Number:

AG01B848

Molecular Formula:

C16H14BrNO

Molecular Weight:

316.1925

Catalog Number:

AG01B848

Chemical Name:

1-{2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-bromoethan-1-one

CAS Number:

43170-50-9

Molecular Formula:

C16H14BrNO

Molecular Weight:

316.1925

MDL Number:

MFCD19172762

IUPAC Name:

2-bromo-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

InChI:

InChI=1S/C16H14BrNO/c17-11-16(19)18-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)18/h1-8H,9-11H2

InChI Key:

NAAOKKMTXCHYBM-UHFFFAOYSA-N

SMILES:

BrCC(=O)N1c2ccccc2CCc2c1cccc2

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

315.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.198g/mol

Monoisotopic Mass:

315.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9