Name: Name:3-(5-AMINO-2-BROMOPHENYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2,4-DION+
Brand: Angene
SKU: AG01DVKR
Rating: 90 (10 reviews)

3-(5-AMINO-2-BROMOPHENYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2,4-DION+

CAS No.:

1539191-74-6

Catalog Number:

AG01DVKR

Molecular Formula:

C13H13BrN2O2

Molecular Weight:

309.1585

Catalog Number:

AG01DVKR

Chemical Name:

3-(5-AMINO-2-BROMOPHENYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2,4-DION+

CAS Number:

1539191-74-6

Molecular Formula:

C13H13BrN2O2

Molecular Weight:

309.1585

MDL Number:

MFCD23582556

IUPAC Name:

3-(5-amino-2-bromophenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

InChI:

InChI=1S/C13H13BrN2O2/c1-13(2)9-10(13)12(18)16(11(9)17)8-5-6(15)3-4-7(8)14/h3-5,9-10H,15H2,1-2H3

InChI Key:

JHPHXLPGSCFWLO-UHFFFAOYSA-N

SMILES:

O=C1C2C(C2(C)C)C(=O)N1c1cc(N)ccc1Br

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.163g/mol

Monoisotopic Mass:

308.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7