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163457-22-5 | 1-Pyrrolidinecarboxylic acid, 3,3-difluoro-, phenylmethyl ester
CAS No: 163457-22-5 Catalog No: AG001U50 MDL No:
Product Description
Catalog Number:
AG001U50
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3,3-difluoro-, phenylmethyl ester
CAS Number:
163457-22-5
Molecular Formula:
C12H13F2NO2
Molecular Weight:
241.2339
IUPAC Name:
benzyl 3,3-difluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H13F2NO2/c13-12(14)6-7-15(9-12)11(16)17-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
XZMBERXRQLASNY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)(F)F)OCc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.238g/mol
Monoisotopic Mass:
241.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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