Home Carboxys cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

CAS No.:
1272757-81-9
Catalog Number:
AG00HRO5
Molecular Formula:
C12H18FNO4
Molecular Weight:
259.2740
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$375
- +
250mg
95%
In Stock USA
United States
$728
- +
1g
95%
In Stock USA
United States
$1456
- +
5g
95%
In Stock USA
United States
$4366
- +
Product Description
Catalog Number:
AG00HRO5
Chemical Name:
cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CAS Number:
1272757-81-9
Molecular Formula:
C12H18FNO4
Molecular Weight:
259.2740
MDL Number:
MFCD20231066
IUPAC Name:
(3S,6S)-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
InChI:
InChI=1S/C12H18FNO4/c1-12(2,3)18-11(17)14-8-5-6(4-7(8)13)9(14)10(15)16/h6-9H,4-5H2,1-3H3,(H,15,16)/t6?,7-,8?,9-/m0/s1
InChI Key:
PMCISSGWBZOERM-QKZHKQSRSA-N
SMILES:
F[C@H]1CC2CC1N([C@@H]2C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
259.122g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.277g/mol
Monoisotopic Mass:
259.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties