Home Other Building Blocks 5-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one

5-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one

CAS No.:
1004294-99-8
Catalog Number:
AG01BTYO
Molecular Formula:
C16H22BNO3
Molecular Weight:
287.1618
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Product Description
Catalog Number:
AG01BTYO
Chemical Name:
5-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one
CAS Number:
1004294-99-8
Molecular Formula:
C16H22BNO3
Molecular Weight:
287.1618
MDL Number:
MFCD30189086
IUPAC Name:
5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one
InChI:
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)13-9-10-14(19)18-13/h5-8,13H,9-10H2,1-4H3,(H,18,19)
InChI Key:
NEJCHNAOMQVWRR-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.169g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.166g/mol
Monoisotopic Mass:
287.169g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties