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1228631-69-3 | 2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 5,5-difluoro-, 1,1-dimethylethyl ester
CAS No: 1228631-69-3 Catalog No: AG000JMR MDL No:
Product Description
Catalog Number:
AG000JMR
Chemical Name:
2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 5,5-difluoro-, 1,1-dimethylethyl ester
CAS Number:
1228631-69-3
Molecular Formula:
C12H20F2N2O2
Molecular Weight:
262.2962
IUPAC Name:
tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C12H20F2N2O2/c1-10(2,3)18-9(17)16-5-4-11(6-15-7-11)12(13,14)8-16/h15H,4-8H2,1-3H3
InChI Key:
DPKMOHMENJEEJV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C(C1)(F)F)CNC2)OC(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.149g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.301g/mol
Monoisotopic Mass:
262.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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