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Home > Boronic Acids > 852227-90-8
852227-90-8 | 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);pyrrolidine
CAS No: 852227-90-8 Catalog No: AG008FUW MDL No:MFCD08060504
Product Description
Catalog Number:
AG008FUW
Chemical Name:
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);pyrrolidine
CAS Number:
852227-90-8
Molecular Formula:
C16H24BNO2
Molecular Weight:
273.1783
MDL Number:
MFCD08060504
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
InChI:
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-9-14(10-8-13)18-11-5-6-12-18/h7-10H,5-6,11-12H2,1-4H3
InChI Key:
DWJNNJSONWFVBT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCCC1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.19g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.183g/mol
Monoisotopic Mass:
273.19g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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