Home Carbonyls 2-{1-[(tert-butoxy)carbonyl]-3-(1-fluoroethenyl)azetidin-3-yl}acetic acid

2-{1-[(tert-butoxy)carbonyl]-3-(1-fluoroethenyl)azetidin-3-yl}acetic acid

CAS No.:
2138103-41-8
Catalog Number:
AG01EM7A
Molecular Formula:
C12H18FNO4
Molecular Weight:
259.2740
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EM7A
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]-3-(1-fluoroethenyl)azetidin-3-yl}acetic acid
CAS Number:
2138103-41-8
Molecular Formula:
C12H18FNO4
Molecular Weight:
259.2740
MDL Number:
MFCD31559440
IUPAC Name:
2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
InChI:
InChI=1S/C12H18FNO4/c1-8(13)12(5-9(15)16)6-14(7-12)10(17)18-11(2,3)4/h1,5-7H2,2-4H3,(H,15,16)
InChI Key:
VXASAPKBJTXORC-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(CC(=O)O)C(=C)F)OC(C)(C)C
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties