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1001853-59-3 | 1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS No: 1001853-59-3 Catalog No: AG00015S MDL No:MFCD26959163
Product Description
Catalog Number:
AG00015S
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS Number:
1001853-59-3
Molecular Formula:
C12H19F2NO4
Molecular Weight:
279.2804
MDL Number:
MFCD26959163
IUPAC Name:
1-O-tert-butyl 2-O-ethyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C12H19F2NO4/c1-5-18-9(16)8-6-12(13,14)7-15(8)10(17)19-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChI Key:
CMNMGOSQTYXYGN-QMMMGPOBSA-N
SMILES:
CCOC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(F)F
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.128g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.284g/mol
Monoisotopic Mass:
279.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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