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1258652-24-2 | 1-Azetidinecarboxylic acid, 3-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1258652-24-2 Catalog No: AG000OVF MDL No:MFCD17480497
Product Description
Catalog Number:
AG000OVF
Chemical Name:
1-Azetidinecarboxylic acid, 3-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1258652-24-2
Molecular Formula:
C9H15F3N2O2
Molecular Weight:
240.2228
MDL Number:
MFCD17480497
IUPAC Name:
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C9H15F3N2O2/c1-7(2,3)16-6(15)14-4-8(13,5-14)9(10,11)12/h4-5,13H2,1-3H3
InChI Key:
ORAKIPUXJZWAKD-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(N)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.109g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.226g/mol
Monoisotopic Mass:
240.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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