Name: Name:7-bromo-1-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-trien-2-one
Brand: Angene
SKU: AG01A736
Rating: 90 (10 reviews)

7-bromo-1-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-trien-2-one

CAS No.:

57369-19-4

Catalog Number:

AG01A736

Molecular Formula:

C12H12BrNO

Molecular Weight:

266.1338

Catalog Number:

AG01A736

Chemical Name:

7-bromo-1-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-trien-2-one

CAS Number:

57369-19-4

Molecular Formula:

C12H12BrNO

Molecular Weight:

266.1338

MDL Number:

MFCD19334787

IUPAC Name:

7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

InChI:

InChI=1S/C12H12BrNO/c13-10-6-8-2-1-5-14-11(15)4-3-9(7-10)12(8)14/h6-7H,1-5H2

InChI Key:

CCFWHRWMFHROJU-UHFFFAOYSA-N

SMILES:

Brc1cc2CCCN3c2c(c1)CCC3=O

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.138g/mol

Monoisotopic Mass:

265.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3