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Home > Boronic Acids > 1190861-91-6
1190861-91-6 | Spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one, 4,4-difluoro-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1190861-91-6 Catalog No: AG000I56 MDL No:
Product Description
Catalog Number:
AG000I56
Chemical Name:
Spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one, 4,4-difluoro-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1190861-91-6
Molecular Formula:
C19H24BF2NO3
Molecular Weight:
363.2066
IUPAC Name:
4',4'-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,1'-cyclohexane]-2-one
InChI:
InChI=1S/C19H24BF2NO3/c1-16(2)17(3,4)26-20(25-16)12-5-6-13-14(11-12)23-15(24)18(13)7-9-19(21,22)10-8-18/h5-6,11H,7-10H2,1-4H3,(H,23,24)
InChI Key:
GGOOSVKWEXAVAY-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31CCC(CC3)(F)F)ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.182g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.212g/mol
Monoisotopic Mass:
363.182g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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