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845894-03-3 | tert-Butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
CAS No: 845894-03-3 Catalog No: AG003UJO MDL No:MFCD08274459
Product Description
Catalog Number:
AG003UJO
Chemical Name:
tert-Butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
CAS Number:
845894-03-3
Molecular Formula:
C9H14FNO3
Molecular Weight:
203.2108
MDL Number:
MFCD08274459
IUPAC Name:
tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H14FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6H,4-5H2,1-3H3
InChI Key:
HPHVNLXMQXEDFX-UHFFFAOYSA-N
SMILES:
O=C1CN(CC1F)C(=O)OC(C)(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.213g/mol
Monoisotopic Mass:
203.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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