Home Carboxys 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-

5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-

CAS No.:
1499193-61-1
Catalog Number:
AG00ABI3
Molecular Formula:
C27H26BrF2NO5
Molecular Weight:
562.3998
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Product Description
Catalog Number:
AG00ABI3
Chemical Name:
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-
CAS Number:
1499193-61-1
Molecular Formula:
C27H26BrF2NO5
Molecular Weight:
562.3998
MDL Number:
MFCD28386930
IUPAC Name:
6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-O-tert-butyl (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate
InChI:
InChI=1S/C27H26BrF2NO5/c1-25(2,3)36-24(34)31-14-26(8-9-26)12-21(31)23(33)35-13-22(32)15-4-6-17-18-7-5-16(28)11-20(18)27(29,30)19(17)10-15/h4-7,10-11,21H,8-9,12-14H2,1-3H3/t21-/m0/s1
InChI Key:
OBNDCWOXZVJYLY-NRFANRHFSA-N
SMILES:
O=C([C@@H]1CC2(CN1C(=O)OC(C)(C)C)CC2)OCC(=O)c1ccc2c(c1)C(F)(F)c1c2ccc(c1)Br
EC Number:
941-125-9
Properties
Complexity:
916  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
561.096g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.408g/mol
Monoisotopic Mass:
561.096g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties