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

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

Formula: C19H21BBrNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C(=O)NC1=CC=C(Br)C=C1

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

InChI: InChI=1S/C19H21BBrNO3/c1-18(2)19(3,4)25-20(24-18)14-7-5-13(6-8-14)17(23)22-16-11-9-15(21)10-12-16/h5-12H,1-4H3,(H,22,23)

Composition: C (56.76%), H (5.26%), B (2.69%), Br (19.87%), N (3.48%), O (11.94%)

Molar Mass: 402.1

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.079787
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VIOGEAZALFWMIM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	98.87
Topological Polar Surface Area	47.56
Polarizability	39.32
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C19H21BBrNO3		Quote Only