Home Other Building Blocks 1-(azetidin-3-yl)ethan-1-ol, trifluoroacetic acid

1-(azetidin-3-yl)ethan-1-ol, trifluoroacetic acid

CAS No.:
1955557-74-0
Catalog Number:
AG01B5OR
Molecular Formula:
C7H12F3NO3
Molecular Weight:
215.1703
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Product Description
Catalog Number:
AG01B5OR
Chemical Name:
1-(azetidin-3-yl)ethan-1-ol, trifluoroacetic acid
CAS Number:
1955557-74-0
Molecular Formula:
C7H12F3NO3
Molecular Weight:
215.1703
MDL Number:
MFCD30181168
IUPAC Name:
1-(azetidin-3-yl)ethanol;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H11NO.C2HF3O2/c1-4(7)5-2-6-3-5;3-2(4,5)1(6)7/h4-7H,2-3H2,1H3;(H,6,7)
InChI Key:
HWWQEEIYBXOCGS-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CC(C1CNC1)O
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
215.172g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties