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1228230-82-7 | Azetidine, 3-(methoxymethyl)-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1228230-82-7 Catalog No: AG000JK3 MDL No:MFCD17016141
Product Description
Catalog Number:
AG000JK3
Chemical Name:
Azetidine, 3-(methoxymethyl)-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1228230-82-7
Molecular Formula:
C7H12F3NO3
Molecular Weight:
215.1703
MDL Number:
MFCD17016141
IUPAC Name:
3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H11NO.C2HF3O2/c1-7-4-5-2-6-3-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)
InChI Key:
NBZVHTDOPPPKBG-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COCC1CNC1
Properties
Complexity:
136
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:
2
Isotope Atom Count:
0
Molecular Weight:
215.172g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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