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4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine

4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine

CAS: 1036991-25-9

Formula: C17H24BNO4

SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)C(=O)N1CCOCC1

IUPAC: 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine

InChI: InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-6-13(12-14)15(20)19-8-10-21-11-9-19/h5-7,12H,8-11H2,1-4H3

Composition: C (64.37%), H (7.63%), B (3.41%), N (4.42%), O (20.18%)

Molar Mass: 317.19

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 317.179838
Formal Charge 0
FSP3 0.59
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PKONGXZPUDFPPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.66
Topological Polar Surface Area 48
Polarizability 34.16
Ring Count 3
Rotatable Bond Count 2

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