Home Other Building Blocks RACEMIC-(1S,3S,4S)-2-(TERT-BUTOXYCARBONYL)-5,5-DIFLUORO-2-AZABICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID

RACEMIC-(1S,3S,4S)-2-(TERT-BUTOXYCARBONYL)-5,5-DIFLUORO-2-AZABICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID

CAS No.:
1272757-15-9
Catalog Number:
AG01DL3Z
Molecular Formula:
C13H19F2NO4
Molecular Weight:
291.2911
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$416
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Product Description
Catalog Number:
AG01DL3Z
Chemical Name:
RACEMIC-(1S,3S,4S)-2-(TERT-BUTOXYCARBONYL)-5,5-DIFLUORO-2-AZABICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID
CAS Number:
1272757-15-9
Molecular Formula:
C13H19F2NO4
Molecular Weight:
291.2911
MDL Number:
MFCD24843162
IUPAC Name:
(3S)-5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
InChI:
InChI=1S/C13H19F2NO4/c1-12(2,3)20-11(19)16-7-4-5-8(9(16)10(17)18)13(14,15)6-7/h7-9H,4-6H2,1-3H3,(H,17,18)/t7?,8?,9-/m0/s1
InChI Key:
BOLCEYWUYSTOAK-HACHORDNSA-N
SMILES:
OC(=O)[C@H]1N(C(=O)OC(C)(C)C)C2CCC1C(C2)(F)F
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
291.128g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.295g/mol
Monoisotopic Mass:
291.128g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties