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1255666-59-1 | 1-Azetidinecarboxylic acid, 3,3-difluoro-, 1,1-dimethylethyl ester
CAS No: 1255666-59-1 Catalog No: AG000NVN MDL No:MFCD18381087
Product Description
Catalog Number:
AG000NVN
Chemical Name:
1-Azetidinecarboxylic acid, 3,3-difluoro-, 1,1-dimethylethyl ester
CAS Number:
1255666-59-1
Molecular Formula:
C8H13F2NO2
Molecular Weight:
193.1911
MDL Number:
MFCD18381087
IUPAC Name:
tert-butyl 3,3-difluoroazetidine-1-carboxylate
InChI:
InChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3
InChI Key:
GJXFELMSTZXKLU-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(F)F)OC(C)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.194g/mol
Monoisotopic Mass:
193.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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