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Home > Boronic Acids > 862261-25-4
862261-25-4 | 8-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CAS No: 862261-25-4 Catalog No: AG008F2W MDL No:MFCD22493471
Product Description
Catalog Number:
AG008F2W
Chemical Name:
8-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CAS Number:
862261-25-4
Molecular Formula:
C19H28BNO4
Molecular Weight:
345.2409
MDL Number:
MFCD22493471
IUPAC Name:
8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C19H28BNO4/c1-17(2)18(3,4)25-20(24-17)15-6-5-7-16(14-15)21-10-8-19(9-11-21)22-12-13-23-19/h5-7,14H,8-13H2,1-4H3
InChI Key:
VRMCMYMODSCQJH-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)N1CCC2(CC1)OCCO2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.211g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.246g/mol
Monoisotopic Mass:
345.211g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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