3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

CAS: 950511-17-8

Formula: C22H24B2N2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)B1NC2=CC=CC3=CC=CC(N1)=C23

IUPAC: 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

InChI: InChI=1S/C22H24B2N2O2/c1-21(2)22(3,4)28-24(27-21)17-11-7-10-16(14-17)23-25-18-12-5-8-15-9-6-13-19(26-23)20(15)18/h5-14,25-26H,1-4H3

Composition: C (71.40%), H (6.54%), B (5.84%), N (7.57%), O (8.65%)

Molar Mass: 370.07

Atom Count: 52

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	370.202388
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DUHMHQCZFHLKDR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.48
Topological Polar Surface Area	42.52
Polarizability	44.72
Ring Count	5
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	950511-17-8		$51.35-$305.90$51.35$63.37$65.55$86.31$87.40$305.90