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1255666-28-4 | 1,2-Piperidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 1255666-28-4 Catalog No: AG000NVT MDL No:
Product Description
Catalog Number:
AG000NVT
Chemical Name:
1,2-Piperidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
1255666-28-4
Molecular Formula:
C12H19F2NO4
Molecular Weight:
279.2804
IUPAC Name:
1-O-tert-butyl 2-O-methyl 4,4-difluoropiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(17)15-6-5-12(13,14)7-8(15)9(16)18-4/h8H,5-7H2,1-4H3
InChI Key:
ATJHVMVWSYGNJH-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(F)(F)CCN1C(=O)OC(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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