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1-(5-Fluoro-pyrimidin-2-yl)-azetidine-3-carboxylic acid

CAS No.:
1289387-13-8
Catalog Number:
AG000YN0
Molecular Formula:
C8H8FN3O2
Molecular Weight:
197.1664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
Product Description
Catalog Number:
AG000YN0
Chemical Name:
1-(5-Fluoro-pyrimidin-2-yl)-azetidine-3-carboxylic acid
CAS Number:
1289387-13-8
Molecular Formula:
C8H8FN3O2
Molecular Weight:
197.1664
MDL Number:
MFCD18837436
IUPAC Name:
1-(5-fluoropyrimidin-2-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C8H8FN3O2/c9-6-1-10-8(11-2-6)12-3-5(4-12)7(13)14/h1-2,5H,3-4H2,(H,13,14)
InChI Key:
CWWQJGFDOQLIQC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)c1ncc(cn1)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.169g/mol
Monoisotopic Mass:
197.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties