2-chloro-N-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

2-chloro-N-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Formula: C17H23BClNO3

SMILES: CC1=CC(Cl)=C(C=C1B1OC(C)(C)C(C)(C)O1)C(=O)NC1CC1

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

InChI: InChI=1S/C17H23BClNO3/c1-10-8-14(19)12(15(21)20-11-6-7-11)9-13(10)18-22-16(2,3)17(4,5)23-18/h8-9,11H,6-7H2,1-5H3,(H,20,21)

Composition: C (60.84%), H (6.91%), B (3.22%), Cl (10.56%), N (4.17%), O (14.30%)

Molar Mass: 335.64

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	335.145951
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UFLZGWBCCUDXKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.75
Topological Polar Surface Area	47.56
Polarizability	35.29
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H23BClNO3		Quote Only