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

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

CAS: 656239-38-2

Formula: C17H24BNO4

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

IUPAC: 4-[4-(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)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3

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	ZOPBEWUNCNLYSD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.66
Topological Polar Surface Area	48
Polarizability	34.17
Ring Count	3
Rotatable Bond Count	2

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