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Home Carboxys 7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate

7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate

CAS No.:
181873-33-6
Catalog Number:
AG01DK4V
Molecular Formula:
C13H16BrNO4
Molecular Weight:
330.1744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$265
- +
250mg
95%
In Stock USA
United States
$452
- +
1g
95%
In Stock USA
United States
$1169
- +
Product Description
Catalog Number:
AG01DK4V
Chemical Name:
7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate
CAS Number:
181873-33-6
Molecular Formula:
C13H16BrNO4
Molecular Weight:
330.1744
MDL Number:
MFCD31579962
IUPAC Name:
7-O-tert-butyl 2-O-methyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate
InChI:
InChI=1S/C13H16BrNO4/c1-13(2,3)19-12(17)15-7-5-6-8(15)10(14)9(7)11(16)18-4/h5-8H,1-4H3
InChI Key:
IYDVHSSMGFFQGK-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(Br)C2N(C1C=C2)C(=O)OC(C)(C)C
Properties
Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.026g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.178g/mol
Monoisotopic Mass:
329.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties