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

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

Formula: C15H21BClNO3

SMILES: CCNC(=O)C1=CC(Cl)=CC(=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C15H21BClNO3/c1-6-18-13(19)10-7-11(9-12(17)8-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3,(H,18,19)

Composition: C (58.19%), H (6.84%), B (3.49%), Cl (11.45%), N (4.52%), O (15.50%)

Molar Mass: 309.6

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.130301
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YQNVDIUBCXMILY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.24
Topological Polar Surface Area	47.56
Polarizability	32.39
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H21BClNO3		Quote Only