2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 475250-49-8

Formula: C13H18BClO2

SMILES: CC1(C)OB(CC2=CC=C(Cl)C=C2)OC1(C)C

IUPAC: 2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H18BClO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3

Composition: C (61.83%), H (7.18%), B (4.28%), Cl (14.04%), O (12.67%)

Molar Mass: 252.55

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.108838
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JDACVUOXXNUDGH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.52
Topological Polar Surface Area	18.46
Polarizability	27.72
Ring Count	2
Rotatable Bond Count	2

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