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203866-21-1 | 1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S)-
CAS No: 203866-21-1 Catalog No: AG00295J MDL No:MFCD01860709
Product Description
Catalog Number:
AG00295J
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S)-
CAS Number:
203866-21-1
Molecular Formula:
C20H16F2NO4-
Molecular Weight:
372.3421
MDL Number:
MFCD01860709
IUPAC Name:
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C20H17F2NO4/c21-20(22)9-17(18(24)25)23(11-20)19(26)27-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,24,25)/t17-/m0/s1
InChI Key:
QLKUZDLPWHCYAO-KRWDZBQOSA-N
SMILES:
[O-]C(=O)[C@@H]1CC(CN1C(=O)OCC1c2ccccc2c2c1cccc2)(F)F
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
373.113g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.356g/mol
Monoisotopic Mass:
373.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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