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2007909-01-3 | Azetidine, 3-fluoro-3-(methoxymethyl)-, 2,2,2-trifluoroacetate (1:1)
CAS No: 2007909-01-3 Catalog No: AG002CZ5 MDL No:
Product Description
Catalog Number:
AG002CZ5
Chemical Name:
Azetidine, 3-fluoro-3-(methoxymethyl)-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
2007909-01-3
Molecular Formula:
C7H11F4NO3
Molecular Weight:
233.1608
IUPAC Name:
3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H10FNO.C2HF3O2/c1-8-4-5(6)2-7-3-5;3-2(4,5)1(6)7/h7H,2-4H2,1H3;(H,6,7)
InChI Key:
ZITBMDXKDNBRTH-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COCC1(F)CNC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.163g/mol
Monoisotopic Mass:
233.068g/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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