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1215071-16-1 | 1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1215071-16-1 Catalog No: AG001536 MDL No:MFCD16140377
Product Description
Catalog Number:
AG001536
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1215071-16-1
Molecular Formula:
C9H13F2NO3
Molecular Weight:
221.2012
MDL Number:
MFCD16140377
IUPAC Name:
tert-butyl 3,3-difluoro-4-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H13F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h4-5H2,1-3H3
InChI Key:
PVBHORJISFZNBG-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=O)C(C1)(F)F)OC(C)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.204g/mol
Monoisotopic Mass:
221.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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