2-(2-phenylethyl)-1,3,6,2-dioxazaborocane

2-(2-phenylethyl)-1,3,6,2-dioxazaborocane

Formula: C12H18BNO2

SMILES: C(CC1=CC=CC=C1)B1OCCNCCO1

IUPAC: 2-(2-phenylethyl)-1,3,6,2-dioxazaborocane

InChI: InChI=1S/C12H18BNO2/c1-2-4-12(5-3-1)6-7-13-15-10-8-14-9-11-16-13/h1-5,14H,6-11H2

Composition: C (65.79%), H (8.28%), B (4.93%), N (6.39%), O (14.60%)

Molar Mass: 219.09

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.143059
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NYYNBCZSIYCXIZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.93
Topological Polar Surface Area	30.49
Polarizability	25.48
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H18BNO2		Quote Only