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125281-38-1 | 1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) 2-(pentafluorophenyl) ester, (R)- (9CI)
CAS No: 125281-38-1 Catalog No: AG000NFI MDL No:
Product Description
Catalog Number:
AG000NFI
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) 2-(pentafluorophenyl) ester, (R)- (9CI)
CAS Number:
125281-38-1
Molecular Formula:
C26H18F5NO4
Molecular Weight:
503.4174
IUPAC Name:
1-O-(9H-fluoren-9-ylmethyl) 2-O-(2,3,4,5,6-pentafluorophenyl) (2R)-pyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C26H18F5NO4/c27-19-20(28)22(30)24(23(31)21(19)29)36-25(33)18-10-5-11-32(18)26(34)35-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2/t18-/m1/s1
InChI Key:
CQBLOHXKGUNWRV-GOSISDBHSA-N
SMILES:
O=C([C@H]1CCCN1C(=O)OCC1c2ccccc2c2c1cccc2)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
781
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
503.116g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.425g/mol
Monoisotopic Mass:
503.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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