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1155875-68-5 | 1-Pyrrolidinecarboxylic acid, 2-(1H-benzotriazol-1-ylcarbonyl)-, 9H-fluoren-9-ylmethyl ester, (2S)-
CAS No: 1155875-68-5 Catalog No: AG000G6Z MDL No:
Product Description
Catalog Number:
AG000G6Z
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(1H-benzotriazol-1-ylcarbonyl)-, 9H-fluoren-9-ylmethyl ester, (2S)-
CAS Number:
1155875-68-5
Molecular Formula:
C26H22N4O3
Molecular Weight:
438.4779
IUPAC Name:
9H-fluoren-9-ylmethyl (2S)-2-(benzotriazole-1-carbonyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C26H22N4O3/c31-25(30-23-13-6-5-12-22(23)27-28-30)24-14-7-15-29(24)26(32)33-16-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-6,8-13,21,24H,7,14-16H2/t24-/m0/s1
InChI Key:
ZTDUGEKWIJHWKX-DEOSSOPVSA-N
SMILES:
O=C(N1CCC[C@H]1C(=O)n1nnc2c1cccc2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
438.169g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.487g/mol
Monoisotopic Mass:
438.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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