Name: Name:7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hept-2-Ene-2,7-Dicarboxylate
Brand: Angene
SKU: AG01DFF3
Rating: 90 (10 reviews)

7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hept-2-Ene-2,7-Dicarboxylate

CAS No.:

197080-71-0

Catalog Number:

AG01DFF3

Molecular Formula:

C13H18BrNO4

Molecular Weight:

332.1903

Catalog Number:

AG01DFF3

Chemical Name:

7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hept-2-Ene-2,7-Dicarboxylate

CAS Number:

197080-71-0

Molecular Formula:

C13H18BrNO4

Molecular Weight:

332.1903

MDL Number:

MFCD31652272

IUPAC Name:

7-O-tert-butyl 2-O-methyl 3-bromo-7-azabicyclo[2.2.1]hept-2-ene-2,7-dicarboxylate

InChI:

InChI=1S/C13H18BrNO4/c1-13(2,3)19-12(17)15-7-5-6-8(15)10(14)9(7)11(16)18-4/h7-8H,5-6H2,1-4H3

InChI Key:

KKNVGWXCHLJFBI-UHFFFAOYSA-N

SMILES:

COC(=O)C1=C(Br)C2N(C1CC2)C(=O)OC(C)(C)C

Complexity:

452

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.194g/mol

Monoisotopic Mass:

331.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9