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1788041-57-5 | 1-Azetidinecarboxylic acid, 3-cyano-3-fluoro-, 1,1-dimethylethyl ester
CAS No: 1788041-57-5 Catalog No: AG0026CE MDL No:MFCD28502469
Product Description
Catalog Number:
AG0026CE
Chemical Name:
1-Azetidinecarboxylic acid, 3-cyano-3-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1788041-57-5
Molecular Formula:
C9H13FN2O2
Molecular Weight:
200.2101
MDL Number:
MFCD28502469
IUPAC Name:
tert-butyl 3-cyano-3-fluoroazetidine-1-carboxylate
InChI:
InChI=1S/C9H13FN2O2/c1-8(2,3)14-7(13)12-5-9(10,4-11)6-12/h5-6H2,1-3H3
InChI Key:
VLCFNAIYELAULW-UHFFFAOYSA-N
SMILES:
N#CC1(F)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.213g/mol
Monoisotopic Mass:
200.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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