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N-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

CAS: 1509932-23-3

Formula: C17H26BNO3

SMILES: CC(C)CNC(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: N-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

InChI: InChI=1S/C17H26BNO3/c1-12(2)11-19-15(20)13-7-9-14(10-8-13)18-21-16(3,4)17(5,6)22-18/h7-10,12H,11H2,1-6H3,(H,19,20)

Composition: C (67.34%), H (8.64%), B (3.57%), N (4.62%), O (15.83%)

Molar Mass: 303.21

Atom Count: 48

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 303.200574
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CTSKTNIWIXSVKC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.43
Topological Polar Surface Area 47.56
Polarizability 34.2
Ring Count 2
Rotatable Bond Count 4

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