2-(2-methylphenyl)-1,3,2-dioxaborinane

2-(2-methylphenyl)-1,3,2-dioxaborinane

CAS: 163517-56-4

Formula: C10H13BO2

SMILES: CC1=CC=CC=C1B1OCCCO1

IUPAC: 2-(2-methylphenyl)-1,3,2-dioxaborinane

InChI: InChI=1S/C10H13BO2/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6H,4,7-8H2,1H3

Composition: C (68.24%), H (7.44%), B (6.14%), O (18.18%)

Molar Mass: 176.02

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.10086
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UIDYFYHQHHMEKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.51
Topological Polar Surface Area	18.46
Polarizability	20.25
Ring Count	2
Rotatable Bond Count	1

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