Home Other Building Blocks 2-(azetidin-3-yl)pyridine, bis(trifluoroacetic acid)

2-(azetidin-3-yl)pyridine, bis(trifluoroacetic acid)

CAS No.:
2044838-66-4
Catalog Number:
AG01BXVT
Molecular Formula:
C12H12F6N2O4
Molecular Weight:
362.2251
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Product Description
Catalog Number:
AG01BXVT
Chemical Name:
2-(azetidin-3-yl)pyridine, bis(trifluoroacetic acid)
CAS Number:
2044838-66-4
Molecular Formula:
C12H12F6N2O4
Molecular Weight:
362.2251
MDL Number:
MFCD30488055
IUPAC Name:
2-(azetidin-3-yl)pyridine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H10N2.2C2HF3O2/c1-2-4-10-8(3-1)7-5-9-6-7;2*3-2(4,5)1(6)7/h1-4,7,9H,5-6H2;2*(H,6,7)
InChI Key:
SLMRZMXJLHTXCU-UHFFFAOYSA-N
SMILES:
N1CC(C1)c1ccccn1.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.07g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
362.228g/mol
Monoisotopic Mass:
362.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties